3-chloro-N-phenylbenzenesulfonamide

C12H10ClNO2S — CID 3865807

IUPAC3-chloro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H
InChIKeyHUJCMLQLDYZJPF-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.14
Rot. Bonds3

About 3-chloro-N-phenylbenzenesulfonamide

3-chloro-N-phenylbenzenesulfonamide (PubChem CID 3865807) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-chloro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-phenylbenzenesulfonamide
PubChem CID3865807
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-chloro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C12H10ClNO2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H
InChIKeyHUJCMLQLDYZJPF-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfabenz
CID 31390
4-Amino-3-chlorobenzenesulfonamide
CID 1502014
Benzenesulfonamide, 3-amino-N-phenyl-
CID 66454
4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
4-amino-N-(4-chlorophenyl)benzenesulfonamide
CID 788021
N-(2-Chlorophenyl)benzenesulfonamide
CID 252039
Benzenesulfonanilide
CID 74296
4-((4-Chlorophenyl)sulfonyl)aniline
CID 229818
5-Amino-2-chloro-N-(3-chloro-phenyl)-benzenesulfonamide
CID 3724108
5-amino-2-chloro-N-(2-chlorophenyl)benzene-1-sulfonamide
CID 3822591
N-(4-fluorophenyl)benzenesulfonamide
CID 295229
4-amino-N-(3,4-dichlorophenyl)benzene-1-sulfonamide
CID 593571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-phenylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-phenylbenzenesulfonamide (CID 3865807) is 3-chloro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-phenylbenzenesulfonamide?
The InChIKey is HUJCMLQLDYZJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H.
What are the key properties of 3-chloro-N-phenylbenzenesulfonamide?
3-chloro-N-phenylbenzenesulfonamide has a molecular weight of 267.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3865807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).