4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide

C15H16ClNO2S — CID 47308842

IUPAC4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO2S/c1-10-4-5-11(2)14(8-10)17-20(18,19)15-7-6-13(16)9-12(15)3/h4-9,17H,1-3H3
InChIKeyWJBNZELMMWCVFW-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.07
Rot. Bonds3

About 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide

4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 47308842) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID47308842
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO2S/c1-10-4-5-11(2)14(8-10)17-20(18,19)15-7-6-13(16)9-12(15)3/h4-9,17H,1-3H3
InChIKeyWJBNZELMMWCVFW-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
CID 26267558
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide (CID 47308842) is 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2C)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is WJBNZELMMWCVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10-4-5-11(2)14(8-10)17-20(18,19)15-7-6-13(16)9-12(15)3/h4-9,17H,1-3H3.
What are the key properties of 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 47308842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).