![3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile structure](/static/products/4544/454473-77-9.webp)
3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile
TL;DR: 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile (CAS 454473-77-9) is a chemical compound with molecular formula C18H13ClN2O2S and molecular weight 356.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzonitrile
Also Known As: Bionet1_002725, 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile, 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzonitrile, 9L-905, 3-[(4-chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzonitrile
| Molecular Formula | C18H13ClN2O2S |
|---|---|
| Molecular Weight | 356.04 g/mol |
| LogP | 3.97628 |
| Topological Polar Surface Area | 62.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.03864 |
| Heavy Atoms | 24 |
| Complexity | 1002.17236 |
Chemical Identifiers
| CAS Number | 454473-77-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=C(C=C2)C#N)CS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile (CAS 454473-77-9), with molecular formula C18H13ClN2O2S and molecular weight 356.04 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile
Property Insights of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile
The XLogP value of 3.97628 indicates that 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile. Following Lipinski's Rule of Five, 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile?
The CAS number of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile is 454473-77-9.
What is the molecular formula of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular formula of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile is C18H13ClN2O2S.
What is the molecular weight of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile?
The molecular weight of 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile is 356.04 g/mol.
Where can I buy 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile?
You can request a quote for 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.