4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide

C9H10N4O2S — CID 43363702

IUPAC4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C9H10N4O2S/c10-16(14,15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H2,10,14,15)
InChIKeyFWZBTYAIDBGHFJ-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.03
Rot. Bonds3

About 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide

4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide (PubChem CID 43363702) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide
PubChem CID43363702
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C9H10N4O2S/c10-16(14,15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H2,10,14,15)
InChIKeyFWZBTYAIDBGHFJ-UHFFFAOYSA-N
XLogP-0.03
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide (CID 43363702) is 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide?
The InChIKey is FWZBTYAIDBGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-16(14,15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H2,10,14,15).
What are the key properties of 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide?
4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43363702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).