Benzenesulfonyl isocyanate, 2-chloro-
TL;DR: Benzenesulfonyl isocyanate, 2-chloro- (CAS 64900-65-8) is a chemical compound with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(oxomethylidene)benzenesulfonamide
Also Known As: 2-Chlorobenzenesulfonyl isocyanate, 2-chlorobenzenesulfonylisocyanate, 2-Chlorobenzensulfonyl isocyanate, Benzenesulfonyl isocyanate, 2-chloro-, 2-chlorophenylsulfonyl isocyanate
| Molecular Formula | C7H4ClNO3S |
|---|---|
| Molecular Weight | 216.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.96004 |
| Heavy Atoms | 13 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 64900-65-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S(=O)(=O)N=C=O)Cl |
| InChIKey | LALCDSDHLXWTTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonyl isocyanate, 2-chloro- (CAS 64900-65-8), with molecular formula C7H4ClNO3S and molecular weight 216.96 g/mol. IUPAC: 2-chloro-N-(oxomethylidene)benzenesulfonamide.
Chemical Property Profile of Benzenesulfonyl isocyanate, 2-chloro-
Property Insights of Benzenesulfonyl isocyanate, 2-chloro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl isocyanate, 2-chloro-. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl isocyanate, 2-chloro-. Following Lipinski's Rule of Five, Benzenesulfonyl isocyanate, 2-chloro- has 0 hydrogen bond donor(s) and 4 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 Benzenesulfonyl isocyanate, 2-chloro-?
The CAS number of Benzenesulfonyl isocyanate, 2-chloro- is 64900-65-8.
What is the molecular formula of Benzenesulfonyl isocyanate, 2-chloro-?
The molecular formula of Benzenesulfonyl isocyanate, 2-chloro- is C7H4ClNO3S.
What is the molecular weight of Benzenesulfonyl isocyanate, 2-chloro-?
The molecular weight of Benzenesulfonyl isocyanate, 2-chloro- is 216.96 g/mol.
Where can I buy Benzenesulfonyl isocyanate, 2-chloro-?
You can request a quote for Benzenesulfonyl isocyanate, 2-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl isocyanate, 2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl isocyanate, 2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.