N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

C7H8N4O2S2 — CID 60982433

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1cccs1
InChIInChI=1S/C7H8N4O2S2/c12-15(13,7-2-1-3-14-7)10-4-6-8-5-9-11-6/h1-3,5,10H,4H2,(H,8,9,11)
InChIKeyWIEWANKJEAMUDE-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.34
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 60982433) has the molecular formula C7H8N4O2S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID60982433
Molecular FormulaC7H8N4O2S2
Molecular Weight244.30 g/mol
Exact Mass244.01
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1cccs1
InChIInChI=1S/C7H8N4O2S2/c12-15(13,7-2-1-3-14-7)10-4-6-8-5-9-11-6/h1-3,5,10H,4H2,(H,8,9,11)
InChIKeyWIEWANKJEAMUDE-UHFFFAOYSA-N
XLogP0.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-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 N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (CID 60982433) is N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ncn[nH]1)c1cccs1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WIEWANKJEAMUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S2/c12-15(13,7-2-1-3-14-7)10-4-6-8-5-9-11-6/h1-3,5,10H,4H2,(H,8,9,11).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 244.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60982433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).