3-ethyl-4-methylbenzenesulfonamide

C9H13NO2S — CID 57353786

IUPAC3-ethyl-4-methylbenzenesulfonamide
SMILESCCc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C9H13NO2S/c1-3-8-6-9(13(10,11)12)5-4-7(8)2/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKeyUUFOCITVFADLPR-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.20
Rot. Bonds2

About 3-ethyl-4-methylbenzenesulfonamide

3-ethyl-4-methylbenzenesulfonamide (PubChem CID 57353786) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-4-methylbenzenesulfonamide
PubChem CID57353786
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name3-ethyl-4-methylbenzenesulfonamide
SMILESCCc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C9H13NO2S/c1-3-8-6-9(13(10,11)12)5-4-7(8)2/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKeyUUFOCITVFADLPR-UHFFFAOYSA-N
XLogP1.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-ethyl-4-methylbenzenesulfonamide (CID 57353786) is 3-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-ethyl-4-methylbenzenesulfonamide is CCc1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of 3-ethyl-4-methylbenzenesulfonamide?
The InChIKey is UUFOCITVFADLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-8-6-9(13(10,11)12)5-4-7(8)2/h4-6H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 3-ethyl-4-methylbenzenesulfonamide?
3-ethyl-4-methylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 57353786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).