4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide

C14H13Cl2NO2S — CID 4600723

IUPAC4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S/c1-9-7-12(16)8-10(2)14(9)17-20(18,19)13-5-3-11(15)4-6-13/h3-8,17H,1-2H3
InChIKeyVWBOYSPRMRBPBD-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.41
Rot. Bonds3

About 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide

4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide (PubChem CID 4600723) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
PubChem CID4600723
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2NO2S/c1-9-7-12(16)8-10(2)14(9)17-20(18,19)13-5-3-11(15)4-6-13/h3-8,17H,1-2H3
InChIKeyVWBOYSPRMRBPBD-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
CID 107575174
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide (CID 4600723) is 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide is Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
The InChIKey is VWBOYSPRMRBPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-9-7-12(16)8-10(2)14(9)17-20(18,19)13-5-3-11(15)4-6-13/h3-8,17H,1-2H3.
What are the key properties of 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide?
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 4600723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).