2H-triazol-4-ylmethanesulfonamide

C3H6N4O2S — CID 112639831

IUPAC2H-triazol-4-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cn[nH]n1
InChIInChI=1S/C3H6N4O2S/c4-10(8,9)2-3-1-5-7-6-3/h1H,2H2,(H2,4,8,9)(H,5,6,7)
InChIKeyREDDWLCAJTYFBR-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.41
Rot. Bonds2

About 2H-triazol-4-ylmethanesulfonamide

2H-triazol-4-ylmethanesulfonamide (PubChem CID 112639831) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 2H-triazol-4-ylmethanesulfonamide.

Molecular Properties

Compound Name2H-triazol-4-ylmethanesulfonamide
PubChem CID112639831
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name2H-triazol-4-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cn[nH]n1
InChIInChI=1S/C3H6N4O2S/c4-10(8,9)2-3-1-5-7-6-3/h1H,2H2,(H2,4,8,9)(H,5,6,7)
InChIKeyREDDWLCAJTYFBR-UHFFFAOYSA-N
XLogP-1.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-ylmethanesulfonamide?
The IUPAC name of 2H-triazol-4-ylmethanesulfonamide (CID 112639831) is 2H-triazol-4-ylmethanesulfonamide.
What is the SMILES notation for 2H-triazol-4-ylmethanesulfonamide?
The canonical SMILES for 2H-triazol-4-ylmethanesulfonamide is NS(=O)(=O)Cc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylmethanesulfonamide?
The InChIKey is REDDWLCAJTYFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-10(8,9)2-3-1-5-7-6-3/h1H,2H2,(H2,4,8,9)(H,5,6,7).
What are the key properties of 2H-triazol-4-ylmethanesulfonamide?
2H-triazol-4-ylmethanesulfonamide has a molecular weight of 162.17 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylmethanesulfonamide is sourced from PubChem (CID 112639831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).