N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

C9H10N4O2S — CID 71917724

IUPACN-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10N4O2S/c1-13-9(10-7-11-13)12-16(14,15)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11,12)
InChIKeyIFQUJBCUTKUVKA-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.62
Rot. Bonds3

About N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 71917724) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID71917724
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10N4O2S/c1-13-9(10-7-11-13)12-16(14,15)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11,12)
InChIKeyIFQUJBCUTKUVKA-UHFFFAOYSA-N
XLogP0.62
TPSA76.88 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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 71917724) is N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is Cn1ncnc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is IFQUJBCUTKUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-9(10-7-11-13)12-16(14,15)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11,12).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 71917724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).