N-(2-acetylphenyl)-2-chlorobenzenesulfonamide

C14H12ClNO3S — CID 2767178

IUPACN-(2-acetylphenyl)-2-chlorobenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-10(17)11-6-2-4-8-13(11)16-20(18,19)14-9-5-3-7-12(14)15/h2-9,16H,1H3
InChIKeyYYEHGTCFLMYWQI-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.34
Rot. Bonds4

About N-(2-acetylphenyl)-2-chlorobenzenesulfonamide

N-(2-acetylphenyl)-2-chlorobenzenesulfonamide (PubChem CID 2767178) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-chlorobenzenesulfonamide
PubChem CID2767178
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(2-acetylphenyl)-2-chlorobenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-10(17)11-6-2-4-8-13(11)16-20(18,19)14-9-5-3-7-12(14)15/h2-9,16H,1H3
InChIKeyYYEHGTCFLMYWQI-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonamido)benzamide
CID 807904
Benzenesulfonamide, N-(2-benzoyl-4-chlorophenyl)-4-methyl-
CID 1047653
N-(4-chloro-2-(4-fluorobenzoyl)phenyl)-4-methylbenzenesulfonamide
CID 1897088
4-acetyl-N-phenylbenzenesulfonamide
CID 7022526
S-[2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11574525
N-(4-acetylphenyl)-1-(4-chlorophenyl)methanesulfonamide
CID 1249875
2-{[(4-Chlorobenzyl)sulfonyl]amino}benzamide
CID 2227897
N-(2-benzoylphenyl)methanesulfonamide
CID 977840
Benzenesulfonamide, 4-amino-3-benzoyl-
CID 208448
N-(2-Benzoyl-4-chlorophenyl)methanesulfonamide
CID 706812
N-(2-acetylphenyl)-4-methylbenzene-1-sulfonamide
CID 3451343
2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11308204

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(2-acetylphenyl)-2-chlorobenzenesulfonamide (CID 2767178) is N-(2-acetylphenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-2-chlorobenzenesulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-acetylphenyl)-2-chlorobenzenesulfonamide?
The InChIKey is YYEHGTCFLMYWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-10(17)11-6-2-4-8-13(11)16-20(18,19)14-9-5-3-7-12(14)15/h2-9,16H,1H3.
What are the key properties of N-(2-acetylphenyl)-2-chlorobenzenesulfonamide?
N-(2-acetylphenyl)-2-chlorobenzenesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 2767178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).