N-ethyl-4-methylbenzenesulfonamide

C9H13NO2S — CID 6637

IUPACN-ethyl-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyOHPZPBNDOVQJMH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.29
Rot. Bonds3

About N-ethyl-4-methylbenzenesulfonamide

N-ethyl-4-methylbenzenesulfonamide (PubChem CID 6637) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methylbenzenesulfonamide
PubChem CID6637
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-ethyl-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyOHPZPBNDOVQJMH-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P-Toluenesulfonamide
CID 6269
N-Butylbenzenesulfonamide
CID 19241
2-Methylbenzenesulfonamide
CID 6924
Mafenide
CID 3998
Mafenide Hydrochloride
CID 67313
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
Diazald
CID 6628
p-Toluenesulfonyl isocyanate
CID 77703
N-Methyl-p-toluenesulfonamide
CID 12543
Toluenesulfonamide formaldehyde resin
CID 159985
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
P-Toluenesulfonylhydrazide
CID 15303

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-methylbenzenesulfonamide (CID 6637) is N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is OHPZPBNDOVQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of N-ethyl-4-methylbenzenesulfonamide?
N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 6637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).