N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C8H8N4O2S — CID 4243591

IUPACN-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C8H8N4O2S/c13-15(14,7-4-2-1-3-5-7)12-8-9-6-10-11-8/h1-6H,(H2,9,10,11,12)
InChIKeyOCXWKQNHLXRJBB-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.61
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 4243591) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID4243591
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC NameN-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C8H8N4O2S/c13-15(14,7-4-2-1-3-5-7)12-8-9-6-10-11-8/h1-6H,(H2,9,10,11,12)
InChIKeyOCXWKQNHLXRJBB-UHFFFAOYSA-N
XLogP0.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 4243591) is N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncn[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is OCXWKQNHLXRJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c13-15(14,7-4-2-1-3-5-7)12-8-9-6-10-11-8/h1-6H,(H2,9,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 224.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 4243591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).