N-(benzenesulfonyl)-4-chlorobenzamide

C13H10ClNO3S — CID 2355220

IUPACN-(benzenesulfonyl)-4-chlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChIKeyFLUQHAGCKXWWQW-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.46
Rot. Bonds3

About N-(benzenesulfonyl)-4-chlorobenzamide

N-(benzenesulfonyl)-4-chlorobenzamide (PubChem CID 2355220) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-chlorobenzamide
PubChem CID2355220
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC NameN-(benzenesulfonyl)-4-chlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChIKeyFLUQHAGCKXWWQW-UHFFFAOYSA-N
XLogP2.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
4-[(4-chlorophenyl)sulfonylcarbamoyl]benzenesulfinate
CID 23213583
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
sodium N-(4-chlorobenzoyl)sulfamate
CID 23702299
4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide
CID 155806628

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-chlorobenzamide?
The IUPAC name of N-(benzenesulfonyl)-4-chlorobenzamide (CID 2355220) is N-(benzenesulfonyl)-4-chlorobenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-chlorobenzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-chlorobenzamide is O=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-chlorobenzamide?
The InChIKey is FLUQHAGCKXWWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-4-chlorobenzamide?
N-(benzenesulfonyl)-4-chlorobenzamide has a molecular weight of 295.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-chlorobenzamide is sourced from PubChem (CID 2355220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).