N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide

C14H14ClNO2S — CID 19256835

IUPACN-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-10-6-8-12(9-7-10)19(17,18)16-14-11(2)4-3-5-13(14)15/h3-9,16H,1-2H3
InChIKeyHMFDBFBTJCKYCH-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.76
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide

N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 19256835) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID19256835
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-10-6-8-12(9-7-10)19(17,18)16-14-11(2)4-3-5-13(14)15/h3-9,16H,1-2H3
InChIKeyHMFDBFBTJCKYCH-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide (CID 19256835) is N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is HMFDBFBTJCKYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-10-6-8-12(9-7-10)19(17,18)16-14-11(2)4-3-5-13(14)15/h3-9,16H,1-2H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide?
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 19256835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).