4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide

C16H16ClNO4S — CID 7940785

IUPAC4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-10-8-15(16(22-3)9-14(10)17)18-23(20,21)13-6-4-12(5-7-13)11(2)19/h4-9,18H,1-3H3
InChIKeyGMKRZLQSGSRQMH-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.66
Rot. Bonds5

About 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide

4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide (PubChem CID 7940785) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
PubChem CID7940785
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-10-8-15(16(22-3)9-14(10)17)18-23(20,21)13-6-4-12(5-7-13)11(2)19/h4-9,18H,1-3H3
InChIKeyGMKRZLQSGSRQMH-UHFFFAOYSA-N
XLogP3.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 31700482
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide
CID 4968859

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide (CID 7940785) is 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
The InChIKey is GMKRZLQSGSRQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-10-8-15(16(22-3)9-14(10)17)18-23(20,21)13-6-4-12(5-7-13)11(2)19/h4-9,18H,1-3H3.
What are the key properties of 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide?
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide has a molecular weight of 353.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 7940785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).