1-(1,2,4-triazol-1-yl)ethanesulfonamide

C4H8N4O2S — CID 67216456

IUPAC1-(1,2,4-triazol-1-yl)ethanesulfonamide
SMILESCC(n1cncn1)S(N)(=O)=O
InChIInChI=1S/C4H8N4O2S/c1-4(11(5,9)10)8-3-6-2-7-8/h2-4H,1H3,(H2,5,9,10)
InChIKeyUUNDWXJDPZIOMD-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.91
Rot. Bonds2

About 1-(1,2,4-triazol-1-yl)ethanesulfonamide

1-(1,2,4-triazol-1-yl)ethanesulfonamide (PubChem CID 67216456) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-(1,2,4-triazol-1-yl)ethanesulfonamide
PubChem CID67216456
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name1-(1,2,4-triazol-1-yl)ethanesulfonamide
SMILESCC(n1cncn1)S(N)(=O)=O
InChIInChI=1S/C4H8N4O2S/c1-4(11(5,9)10)8-3-6-2-7-8/h2-4H,1H3,(H2,5,9,10)
InChIKeyUUNDWXJDPZIOMD-UHFFFAOYSA-N
XLogP-0.91
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,2,4-triazol-1-yl)ethanesulfonamide 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-(1,2,4-triazol-1-yl)ethanesulfonamide?
The IUPAC name of 1-(1,2,4-triazol-1-yl)ethanesulfonamide (CID 67216456) is 1-(1,2,4-triazol-1-yl)ethanesulfonamide.
What is the SMILES notation for 1-(1,2,4-triazol-1-yl)ethanesulfonamide?
The canonical SMILES for 1-(1,2,4-triazol-1-yl)ethanesulfonamide is CC(n1cncn1)S(N)(=O)=O.
What is the InChIKey of 1-(1,2,4-triazol-1-yl)ethanesulfonamide?
The InChIKey is UUNDWXJDPZIOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c1-4(11(5,9)10)8-3-6-2-7-8/h2-4H,1H3,(H2,5,9,10).
What are the key properties of 1-(1,2,4-triazol-1-yl)ethanesulfonamide?
1-(1,2,4-triazol-1-yl)ethanesulfonamide has a molecular weight of 176.20 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 67216456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).