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

C10H10N4O3S — CID 62944136

IUPAC3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H10N4O3S/c1-7(15)8-3-2-4-9(5-8)18(16,17)14-10-11-6-12-13-10/h2-6H,1H3,(H2,11,12,13,14)
InChIKeyFGQYCJSYBPJHSI-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.81
Rot. Bonds4

About 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 62944136) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID62944136
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H10N4O3S/c1-7(15)8-3-2-4-9(5-8)18(16,17)14-10-11-6-12-13-10/h2-6H,1H3,(H2,11,12,13,14)
InChIKeyFGQYCJSYBPJHSI-UHFFFAOYSA-N
XLogP0.81
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990181
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 63666659
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 62944648
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 55154114
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 62944136) is 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is FGQYCJSYBPJHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-7(15)8-3-2-4-9(5-8)18(16,17)14-10-11-6-12-13-10/h2-6H,1H3,(H2,11,12,13,14).
What are the key properties of 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 266.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 62944136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).