N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide

C13H12ClNO4S2 — CID 10593652

IUPACN-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO4S2/c1-10-2-6-12(7-3-10)20(16,17)15-21(18,19)13-8-4-11(14)5-9-13/h2-9,15H,1H3
InChIKeyJMMBXRHEIZNLAW-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.32
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide

N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide (PubChem CID 10593652) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
PubChem CID10593652
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO4S2/c1-10-2-6-12(7-3-10)20(16,17)15-21(18,19)13-8-4-11(14)5-9-13/h2-9,15H,1H3
InChIKeyJMMBXRHEIZNLAW-UHFFFAOYSA-N
XLogP2.32
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide
CID 124927199
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide (CID 10593652) is N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
The InChIKey is JMMBXRHEIZNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-10-2-6-12(7-3-10)20(16,17)15-21(18,19)13-8-4-11(14)5-9-13/h2-9,15H,1H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide has a molecular weight of 345.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 10593652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).