4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H15NO2S2 — CID 5190927

IUPAC4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H15NO2S2/c1-2-11-5-7-13(8-6-11)18(15,16)14-10-12-4-3-9-17-12/h3-9,14H,2,10H2,1H3
InChIKeyZBAMVBYPDYMTQM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds5

About 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 5190927) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID5190927
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H15NO2S2/c1-2-11-5-7-13(8-6-11)18(15,16)14-10-12-4-3-9-17-12/h3-9,14H,2,10H2,1H3
InChIKeyZBAMVBYPDYMTQM-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide 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 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 5190927) is 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZBAMVBYPDYMTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-2-11-5-7-13(8-6-11)18(15,16)14-10-12-4-3-9-17-12/h3-9,14H,2,10H2,1H3.
What are the key properties of 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 281.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 5190927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).