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

C4H8N4O2S — CID 67216457

IUPAC2-(1,2,4-triazol-1-yl)ethanesulfonamide
SMILESNS(=O)(=O)CCn1cncn1
InChIInChI=1S/C4H8N4O2S/c5-11(9,10)2-1-8-4-6-3-7-8/h3-4H,1-2H2,(H2,5,9,10)
InChIKeyUTENWRIKBJUBLX-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.43
Rot. Bonds3

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

2-(1,2,4-triazol-1-yl)ethanesulfonamide (PubChem CID 67216457) has the molecular formula C4H8N4O2S and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)ethanesulfonamide
PubChem CID67216457
Molecular FormulaC4H8N4O2S
Molecular Weight176.20 g/mol
Exact Mass176.04
IUPAC Name2-(1,2,4-triazol-1-yl)ethanesulfonamide
SMILESNS(=O)(=O)CCn1cncn1
InChIInChI=1S/C4H8N4O2S/c5-11(9,10)2-1-8-4-6-3-7-8/h3-4H,1-2H2,(H2,5,9,10)
InChIKeyUTENWRIKBJUBLX-UHFFFAOYSA-N
XLogP-1.43
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)ethanesulfonamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)ethanesulfonamide (CID 67216457) is 2-(1,2,4-triazol-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)ethanesulfonamide is NS(=O)(=O)CCn1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)ethanesulfonamide?
The InChIKey is UTENWRIKBJUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S/c5-11(9,10)2-1-8-4-6-3-7-8/h3-4H,1-2H2,(H2,5,9,10).
What are the key properties of 2-(1,2,4-triazol-1-yl)ethanesulfonamide?
2-(1,2,4-triazol-1-yl)ethanesulfonamide has a molecular weight of 176.20 g/mol, XLogP of -1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 67216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).