1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

C10H13N3O2S2 — CID 6468307

IUPAC1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cccs2)cn1
InChIInChI=1S/C10H13N3O2S2/c1-2-13-8-10(7-11-13)17(14,15)12-6-9-4-3-5-16-9/h3-5,7-8,12H,2,6H2,1H3
InChIKeyODESXYLFMPJDEU-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.44
Rot. Bonds5

About 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 6468307) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID6468307
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cccs2)cn1
InChIInChI=1S/C10H13N3O2S2/c1-2-13-8-10(7-11-13)17(14,15)12-6-9-4-3-5-16-9/h3-5,7-8,12H,2,6H2,1H3
InChIKeyODESXYLFMPJDEU-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide 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 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 6468307) is 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2cccs2)cn1.
What is the InChIKey of 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is ODESXYLFMPJDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-2-13-8-10(7-11-13)17(14,15)12-6-9-4-3-5-16-9/h3-5,7-8,12H,2,6H2,1H3.
What are the key properties of 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6468307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).