4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C16H19NO2S — CID 925016

IUPAC4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
InChIKeyANVUKJDKJYJFNE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.72
Rot. Bonds3

About 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 925016) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID925016
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
InChIKeyANVUKJDKJYJFNE-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

p-Toluenesulfono-o-toluidide
CID 66457
m-3M3FBS
CID 761523
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
2',4'-Dimethylbenzenesulfonanilide
CID 295226
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
N-(4-butylphenyl)-4-fluorobenzenesulfonamide
CID 2843133
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
N-(ethylmercury)-p-toluenesulphonanilide
CID 10598
Benzenesulfono-o-toluidide
CID 87657
4-amino-N-(2-methylphenyl)benzene-1-sulfonamide
CID 593569
N,N'-(3,3'-dimethylbiphenyl-4,4'-diyl)dibenzenesulfonamide
CID 232092

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 925016) is 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is ANVUKJDKJYJFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3.
What are the key properties of 4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-methyl-N-(2,4,6-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-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).