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

C9H10N4O2S — CID 744331

IUPAC4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C9H10N4O2S/c1-7-2-4-8(5-3-7)16(14,15)13-9-10-6-11-12-9/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyGINARBSIFVGEJO-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.91
Rot. Bonds3

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

4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 744331) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID744331
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C9H10N4O2S/c1-7-2-4-8(5-3-7)16(14,15)13-9-10-6-11-12-9/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyGINARBSIFVGEJO-UHFFFAOYSA-N
XLogP0.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 744331) is 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is GINARBSIFVGEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-7-2-4-8(5-3-7)16(14,15)13-9-10-6-11-12-9/h2-6H,1H3,(H2,10,11,12,13).
What are the key properties of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 744331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).