N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide

C15H17NO2S2 — CID 961910

IUPACN-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C15H17NO2S2/c1-11-5-4-6-12(2)15(11)16-20(17,18)14-9-7-13(19-3)8-10-14/h4-10,16H,1-3H3
InChIKeyJHKMOYWOPLYKPX-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.83
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide

N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 961910) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID961910
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C15H17NO2S2/c1-11-5-4-6-12(2)15(11)16-20(17,18)14-9-7-13(19-3)8-10-14/h4-10,16H,1-3H3
InChIKeyJHKMOYWOPLYKPX-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2',4'-Dimethylbenzenesulfonanilide
CID 295226
Benzenesulfono-o-toluidide
CID 87657
4-Methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 925016
N-(2-ethyl-6-methylphenyl)thiophene-2-sulfonamide
CID 970385
N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 262999
2',6'-Diethyl-p-toluenesulfonanilide
CID 731535
N-(2-ethyl-6-methylphenyl)-1-phenylmethanesulfonamide
CID 669257
N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 967758
4-propyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 8190712
N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 647368
2-methyl-N-(2-methylphenyl)-5-(methylsulfonyl)benzenesulfonamide
CID 851381
4-fluoro-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3518281

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide (CID 961910) is N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is JHKMOYWOPLYKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-11-5-4-6-12(2)15(11)16-20(17,18)14-9-7-13(19-3)8-10-14/h4-10,16H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 961910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).