3-Chloro-4-(phenylsulfonyl)aniline
TL;DR: 3-Chloro-4-(phenylsulfonyl)aniline (CAS 32631-31-5) is a chemical compound with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-3-chloroaniline
Also Known As: Maybridge3_001143, 4-(benzenesulfonyl)-3-chloroaniline, 3-chloro-4-(phenylsulfonyl)aniline, 1-amino-3-chloro-4-phenylsulfonylbenzene, IDI1_012530
| Molecular Formula | C12H10ClNO2S |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.755 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.0121 |
| Heavy Atoms | 17 |
| Complexity | 638.8101 |
Chemical Identifiers
| CAS Number | 32631-31-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)N)Cl |
Product Overview
3-Chloro-4-(phenylsulfonyl)aniline (CAS 32631-31-5), with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol. IUPAC: 4-(benzenesulfonyl)-3-chloroaniline.
Chemical Property Profile of 3-Chloro-4-(phenylsulfonyl)aniline
Property Insights of 3-Chloro-4-(phenylsulfonyl)aniline
The XLogP value of 2.755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(phenylsulfonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-(phenylsulfonyl)aniline. Following Lipinski's Rule of Five, 3-Chloro-4-(phenylsulfonyl)aniline has 1 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-Chloro-4-(phenylsulfonyl)aniline?
The CAS number of 3-Chloro-4-(phenylsulfonyl)aniline is 32631-31-5.
What is the molecular formula of 3-Chloro-4-(phenylsulfonyl)aniline?
The molecular formula of 3-Chloro-4-(phenylsulfonyl)aniline is C12H10ClNO2S.
What is the molecular weight of 3-Chloro-4-(phenylsulfonyl)aniline?
The molecular weight of 3-Chloro-4-(phenylsulfonyl)aniline is 267.01 g/mol.
Where can I buy 3-Chloro-4-(phenylsulfonyl)aniline?
You can request a quote for 3-Chloro-4-(phenylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(phenylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(phenylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.