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

C12H9Cl2NO2S — CID 889559

IUPAC3-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H
InChIKeyQQZPKQXECYFMLZ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.79
Rot. Bonds3

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

3-chloro-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 889559) has the molecular formula C12H9Cl2NO2S and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID889559
Molecular FormulaC12H9Cl2NO2S
Molecular Weight302.18 g/mol
Exact Mass300.97
IUPAC Name3-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9Cl2NO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H
InChIKeyQQZPKQXECYFMLZ-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094344
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)benzenesulfonamide (CID 889559) is 3-chloro-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is QQZPKQXECYFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H.
What are the key properties of 3-chloro-N-(4-chlorophenyl)benzenesulfonamide?
3-chloro-N-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 302.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 889559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).