4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide

C16H19NO2S — CID 59317382

IUPAC4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-10-13(3)12(2)9-14(16)4/h5-10,17H,1-4H3
InChIKeyUGPDFWTYGRWYGJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.72
Rot. Bonds3

About 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide

4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide (PubChem CID 59317382) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
PubChem CID59317382
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-10-13(3)12(2)9-14(16)4/h5-10,17H,1-4H3
InChIKeyUGPDFWTYGRWYGJ-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 18413392
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[4,5-dimethyl-2-(2-oxopentyl)phenyl]-4-methylbenzenesulfonamide
CID 158359343
N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
CID 178026568
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide (CID 59317382) is 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide?
The InChIKey is UGPDFWTYGRWYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-10-13(3)12(2)9-14(16)4/h5-10,17H,1-4H3.
What are the key properties of 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide?
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 59317382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).