1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
TL;DR: 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile (CAS 97188-22-2) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)pyrrole-2-carbonitrile
Also Known As: 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile, 1-(benzenesulfonyl)pyrrole-2-carbonitrile, 1- -2-PYRROLECARBONITRILE, 1-(Phenylsulfonyl)-1H-pyrrole-2-carbonitrile, 1-(benzenesulfonyl)-1H-pyrrole-2-carbonitrile
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.59678 |
| Topological Polar Surface Area | 62.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 636.12415 |
Chemical Identifiers
| CAS Number | 97188-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C#N |
Product Overview
1-(Phenylsulfonyl)-2-pyrrolecarbonitrile (CAS 97188-22-2), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: 1-(benzenesulfonyl)pyrrole-2-carbonitrile.
Chemical Property Profile of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
Property Insights of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile
The XLogP value of 1.59678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile. The TPSA of 62.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile 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 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile?
The CAS number of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile is 97188-22-2.
What is the molecular formula of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile?
The molecular formula of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile is C11H8N2O2S.
What is the molecular weight of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile?
The molecular weight of 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile is 232.03 g/mol.
Where can I buy 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile?
You can request a quote for 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)-2-pyrrolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.