4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide

C15H14ClNO3S — CID 7938770

IUPAC4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H14ClNO3S/c1-10-14(16)4-3-5-15(10)17-21(19,20)13-8-6-12(7-9-13)11(2)18/h3-9,17H,1-2H3
InChIKeyZAWRJJOCPFEAOJ-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.65
Rot. Bonds4

About 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide

4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 7938770) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID7938770
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H14ClNO3S/c1-10-14(16)4-3-5-15(10)17-21(19,20)13-8-6-12(7-9-13)11(2)18/h3-9,17H,1-2H3
InChIKeyZAWRJJOCPFEAOJ-UHFFFAOYSA-N
XLogP3.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide (CID 7938770) is 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is ZAWRJJOCPFEAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10-14(16)4-3-5-15(10)17-21(19,20)13-8-6-12(7-9-13)11(2)18/h3-9,17H,1-2H3.
What are the key properties of 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 7938770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).