N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide

C17H21NO2S — CID 731535

IUPACN-(2,6-diethylphenyl)-4-methylbenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-4-14-7-6-8-15(5-2)17(14)18-21(19,20)16-11-9-13(3)10-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyCAXHZJKUHBMSPS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.92
Rot. Bonds5

About N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide

N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 731535) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-methylbenzenesulfonamide
PubChem CID731535
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2,6-diethylphenyl)-4-methylbenzenesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-4-14-7-6-8-15(5-2)17(14)18-21(19,20)16-11-9-13(3)10-12-16/h6-12,18H,4-5H2,1-3H3
InChIKeyCAXHZJKUHBMSPS-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.92
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
Benzenesulfonamide, N-(2-aminophenyl)-4-methyl-
CID 77180
4-Methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 925016

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide (CID 731535) is N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is CAXHZJKUHBMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-14-7-6-8-15(5-2)17(14)18-21(19,20)16-11-9-13(3)10-12-16/h6-12,18H,4-5H2,1-3H3.
What are the key properties of N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide?
N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 731535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).