3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide

C19H16ClNO4S2 — CID 1355590

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClNO4S2/c1-14-5-2-3-8-19(14)21-27(24,25)18-7-4-6-17(13-18)26(22,23)16-11-9-15(20)10-12-16/h2-13,21H,1H3
InChIKeyWMCZUTPHPMZKNK-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.28
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide

3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 1355590) has the molecular formula C19H16ClNO4S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID1355590
Molecular FormulaC19H16ClNO4S2
Molecular Weight421.93 g/mol
Exact Mass421.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClNO4S2/c1-14-5-2-3-8-19(14)21-27(24,25)18-7-4-6-17(13-18)26(22,23)16-11-9-15(20)10-12-16/h2-13,21H,1H3
InChIKeyWMCZUTPHPMZKNK-UHFFFAOYSA-N
XLogP4.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride
CID 58892097
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide (CID 1355590) is 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is WMCZUTPHPMZKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S2/c1-14-5-2-3-8-19(14)21-27(24,25)18-7-4-6-17(13-18)26(22,23)16-11-9-15(20)10-12-16/h2-13,21H,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide?
3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 421.93 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 1355590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).