N-(2-acetyl-4-chlorophenyl)methanesulfonamide

C9H10ClNO3S — CID 145014745

IUPACN-(2-acetyl-4-chlorophenyl)methanesulfonamide
SMILESCC(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H10ClNO3S/c1-6(12)8-5-7(10)3-4-9(8)11-15(2,13)14/h3-5,11H,1-2H3
InChIKeyGPZIBOOXUQYANY-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.91
Rot. Bonds3

About N-(2-acetyl-4-chlorophenyl)methanesulfonamide

N-(2-acetyl-4-chlorophenyl)methanesulfonamide (PubChem CID 145014745) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is N-(2-acetyl-4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-4-chlorophenyl)methanesulfonamide
PubChem CID145014745
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC NameN-(2-acetyl-4-chlorophenyl)methanesulfonamide
SMILESCC(=O)c1cc(Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H10ClNO3S/c1-6(12)8-5-7(10)3-4-9(8)11-15(2,13)14/h3-5,11H,1-2H3
InChIKeyGPZIBOOXUQYANY-UHFFFAOYSA-N
XLogP1.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
CID 49191872
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
CID 120831052
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436
N-(benzhydrylideneamino)-5-chloro-2-(methanesulfonamido)benzamide
CID 60606311
N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
CID 10339350
5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 49195493
5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
CID 58029497

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(2-acetyl-4-chlorophenyl)methanesulfonamide (CID 145014745) is N-(2-acetyl-4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-acetyl-4-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-acetyl-4-chlorophenyl)methanesulfonamide is CC(=O)c1cc(Cl)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(2-acetyl-4-chlorophenyl)methanesulfonamide?
The InChIKey is GPZIBOOXUQYANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-6(12)8-5-7(10)3-4-9(8)11-15(2,13)14/h3-5,11H,1-2H3.
What are the key properties of N-(2-acetyl-4-chlorophenyl)methanesulfonamide?
N-(2-acetyl-4-chlorophenyl)methanesulfonamide has a molecular weight of 247.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 145014745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).