2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C14H14ClNO3S — CID 32672944

IUPAC2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C14H14ClNO3S/c1-10-3-8-14(13(15)9-10)20(17,18)16-11-4-6-12(19-2)7-5-11/h3-9,16H,1-2H3
InChIKeyUVQSSTSRUAVSOL-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 32672944) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID32672944
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C14H14ClNO3S/c1-10-3-8-14(13(15)9-10)20(17,18)16-11-4-6-12(19-2)7-5-11/h3-9,16H,1-2H3
InChIKeyUVQSSTSRUAVSOL-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 32672944) is 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is UVQSSTSRUAVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-3-8-14(13(15)9-10)20(17,18)16-11-4-6-12(19-2)7-5-11/h3-9,16H,1-2H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 32672944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).