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

C13H11Cl2NO3S — CID 4994976

IUPAC4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-10-4-7-13(12(15)8-10)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyUQLMIUCCESGFJZ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.80
Rot. Bonds4

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

4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide (PubChem CID 4994976) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
PubChem CID4994976
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-19-10-4-7-13(12(15)8-10)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyUQLMIUCCESGFJZ-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
CID 96680450
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide (CID 4994976) is 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is UQLMIUCCESGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-19-10-4-7-13(12(15)8-10)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3.
What are the key properties of 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide?
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4994976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).