5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide

C13H12ClNO4S2 — CID 877222

IUPAC5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C13H12ClNO4S2/c1-9-2-5-12(8-13(9)21(15,18)19)20(16,17)11-6-3-10(14)4-7-11/h2-8H,1H3,(H2,15,18,19)
InChIKeyNCTDHZPYRJQSNF-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.13
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide

5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide (PubChem CID 877222) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
PubChem CID877222
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C13H12ClNO4S2/c1-9-2-5-12(8-13(9)21(15,18)19)20(16,17)11-6-3-10(14)4-7-11/h2-8H,1H3,(H2,15,18,19)
InChIKeyNCTDHZPYRJQSNF-UHFFFAOYSA-N
XLogP2.13
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide 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

N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 1089389
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
(2S)-2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoic acid
CID 992315
2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoate
CID 78554929
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
3-(4-aminophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565114
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70564740
5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide
CID 76852484
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
3-(4-amino-3-bromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565930

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide (CID 877222) is 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
The InChIKey is NCTDHZPYRJQSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-9-2-5-12(8-13(9)21(15,18)19)20(16,17)11-6-3-10(14)4-7-11/h2-8H,1H3,(H2,15,18,19).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide?
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide has a molecular weight of 345.83 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 877222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).