2-(2,6-dimethylphenyl)ethanesulfonamide

C10H15NO2S — CID 13480198

IUPAC2-(2,6-dimethylphenyl)ethanesulfonamide
SMILESCc1cccc(C)c1CCS(N)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-8-4-3-5-9(2)10(8)6-7-14(11,12)13/h3-5H,6-7H2,1-2H3,(H2,11,12,13)
InChIKeyWETOKLHITVUQRF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.13
Rot. Bonds3

About 2-(2,6-dimethylphenyl)ethanesulfonamide

2-(2,6-dimethylphenyl)ethanesulfonamide (PubChem CID 13480198) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)ethanesulfonamide
PubChem CID13480198
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(2,6-dimethylphenyl)ethanesulfonamide
SMILESCc1cccc(C)c1CCS(N)(=O)=O
InChIInChI=1S/C10H15NO2S/c1-8-4-3-5-9(2)10(8)6-7-14(11,12)13/h3-5H,6-7H2,1-2H3,(H2,11,12,13)
InChIKeyWETOKLHITVUQRF-UHFFFAOYSA-N
XLogP1.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanesulfonamide
CID 78318
N-Benzylsulfonylhydroxylamin
CID 23645541
Benzeneethanesulfonamide
CID 204808
3-Phenylpropane-1-sulfonamide
CID 12574638
N-methyl-1-phenylmethanesulfonamide
CID 290582
(1E)-2-Phenylethenesulfonamide
CID 5357731
Fluoro(phenyl)methanesulfonamide
CID 11355950
(3-Fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
2-Phenylethenesulfonamide
CID 257501
2-Phenylethane-1-sulfonyl chloride
CID 2760374
5-Phenylpentane-1-sulfonyl fluoride
CID 71453862
1-Tetradecanesulfonic acid, (dimethylphenyl)-
CID 138401187

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)ethanesulfonamide?
The IUPAC name of 2-(2,6-dimethylphenyl)ethanesulfonamide (CID 13480198) is 2-(2,6-dimethylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)ethanesulfonamide is Cc1cccc(C)c1CCS(N)(=O)=O.
What is the InChIKey of 2-(2,6-dimethylphenyl)ethanesulfonamide?
The InChIKey is WETOKLHITVUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8-4-3-5-9(2)10(8)6-7-14(11,12)13/h3-5H,6-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-(2,6-dimethylphenyl)ethanesulfonamide?
2-(2,6-dimethylphenyl)ethanesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)ethanesulfonamide is sourced from PubChem (CID 13480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).