N-(2,5-dimethylphenyl)ethanesulfonamide

C10H15NO2S — CID 902936

IUPACN-(2,5-dimethylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C10H15NO2S/c1-4-14(12,13)11-10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3
InChIKeyKGDNZSARZOGTCT-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.07
Rot. Bonds3

About N-(2,5-dimethylphenyl)ethanesulfonamide

N-(2,5-dimethylphenyl)ethanesulfonamide (PubChem CID 902936) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)ethanesulfonamide
PubChem CID902936
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-(2,5-dimethylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C10H15NO2S/c1-4-14(12,13)11-10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3
InChIKeyKGDNZSARZOGTCT-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
(2,5-dimethylanilino)methanesulfonic acid
CID 3019008
N-chloro-2,5-dimethylaniline
CID 141218472
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)ethanesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)ethanesulfonamide (CID 902936) is N-(2,5-dimethylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)ethanesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)ethanesulfonamide?
The InChIKey is KGDNZSARZOGTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-14(12,13)11-10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)ethanesulfonamide?
N-(2,5-dimethylphenyl)ethanesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)ethanesulfonamide is sourced from PubChem (CID 902936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).