N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide

C12H19NO2S — CID 47429985

IUPACN-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-8-7-12-6-5-10(2)9-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyUITZJLXGAOIFLY-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide

N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide (PubChem CID 47429985) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
PubChem CID47429985
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C12H19NO2S/c1-4-16(14,15)13-8-7-12-6-5-10(2)9-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyUITZJLXGAOIFLY-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3669015
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[2-(ethylsulfonylamino)ethyl]guanidine;hydroiodide
CID 111937778
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide (CID 47429985) is N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide?
The InChIKey is UITZJLXGAOIFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-16(14,15)13-8-7-12-6-5-10(2)9-11(12)3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide?
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 47429985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).