4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide

C13H11Cl2NO3S — CID 808097

IUPAC4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C13H11Cl2NO3S/c1-19-13-7-4-10(8-12(13)15)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyBKGFWHSUQYJYPI-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide

4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide (PubChem CID 808097) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
PubChem CID808097
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C13H11Cl2NO3S/c1-19-13-7-4-10(8-12(13)15)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyBKGFWHSUQYJYPI-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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
CID 3749500
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide (CID 808097) is 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BKGFWHSUQYJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-19-13-7-4-10(8-12(13)15)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-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
4-chloro-N-(3-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-(3-chloro-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 808097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).