N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide

C16H19NO2S — CID 669257

IUPACN-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-3-15-11-7-8-13(2)16(15)17-20(18,19)12-14-9-5-4-6-10-14/h4-11,17H,3,12H2,1-2H3
InChIKeyLFXXCCFYUXFKCF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.50
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide

N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 669257) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID669257
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-3-15-11-7-8-13(2)16(15)17-20(18,19)12-14-9-5-4-6-10-14/h4-11,17H,3,12H2,1-2H3
InChIKeyLFXXCCFYUXFKCF-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2',4'-Dimethylbenzenesulfonanilide
CID 295226
N,1-diphenylmethanesulfonamide
CID 669287
Benzenesulfono-o-toluidide
CID 87657
4-Methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 925016
N-(2-ethylphenyl)-1-phenylmethanesulfonamide
CID 669288
N-(3-fluorophenyl)-1-phenylmethanesulfonamide
CID 872253
N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 262999
2',6'-Diethyl-p-toluenesulfonanilide
CID 731535
N-(2,6-dimethylphenyl)methanesulfonamide
CID 686475
N-2-biphenylyl-2,4,6-trimethylbenzenesulfonamide
CID 1068533
(2,6-Diisopropyl-phenylsulfamoyl)-thioacetic acid S-dodecyl ester
CID 15341058
(2,6-Diisopropyl-phenylsulfamoyl)-thioacetic acid S-hexyl ester
CID 15341059

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide (CID 669257) is N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide is CCc1cccc(C)c1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is LFXXCCFYUXFKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-15-11-7-8-13(2)16(15)17-20(18,19)12-14-9-5-4-6-10-14/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide?
N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 669257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).