N-(4-chlorophenyl)-3-methylbenzenesulfonamide

C13H12ClNO2S — CID 805135

IUPACN-(4-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO2S/c1-10-3-2-4-13(9-10)18(16,17)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChIKeyDRBQNIJPYAVSDM-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.45
Rot. Bonds3

About N-(4-chlorophenyl)-3-methylbenzenesulfonamide

N-(4-chlorophenyl)-3-methylbenzenesulfonamide (PubChem CID 805135) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methylbenzenesulfonamide
PubChem CID805135
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(4-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12ClNO2S/c1-10-3-2-4-13(9-10)18(16,17)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChIKeyDRBQNIJPYAVSDM-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094332
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-methylbenzenesulfonamide (CID 805135) is N-(4-chlorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is DRBQNIJPYAVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-10-3-2-4-13(9-10)18(16,17)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3.
What are the key properties of N-(4-chlorophenyl)-3-methylbenzenesulfonamide?
N-(4-chlorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 805135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).