4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide

C12H14N4O3S — CID 171353418

IUPAC4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide
SMILESCCC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C12H14N4O3S/c1-3-11(17)12-8(2)16(15-14-12)9-4-6-10(7-5-9)20(13,18)19/h4-7H,3H2,1-2H3,(H2,13,18,19)
InChIKeyWZIHBASMDQYLJM-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.82
Rot. Bonds4

About 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide

4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide (PubChem CID 171353418) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide
PubChem CID171353418
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide
SMILESCCC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C12H14N4O3S/c1-3-11(17)12-8(2)16(15-14-12)9-4-6-10(7-5-9)20(13,18)19/h4-7H,3H2,1-2H3,(H2,13,18,19)
InChIKeyWZIHBASMDQYLJM-UHFFFAOYSA-N
XLogP0.82
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propanoylbenzenesulfonamide
CID 70209431
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
ethyl 4-(4-acetyl-5-methyltriazol-1-yl)benzoate
CID 82201484
ethyl 5-methyl-1-pyridin-4-yltriazole-4-carboxylate
CID 101043740
ethyl 5-methyl-1-(4-phenylselanylphenyl)triazole-4-carboxylate
CID 102311928
4-(5-phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
4-(5-butyl-4-formyltriazol-1-yl)benzenesulfonamide
CID 94938429
ethyl 1-(3,4-difluorophenyl)-5-methyltriazole-4-carboxylate
CID 58191733
1-(4-tert-butylphenyl)-5-methyltriazole-4-carboxylic acid
CID 43325015
4-(4-acetyl-5-methyltriazol-1-yl)benzoic acid
CID 82201518

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide (CID 171353418) is 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide is CCC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide?
The InChIKey is WZIHBASMDQYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-11(17)12-8(2)16(15-14-12)9-4-6-10(7-5-9)20(13,18)19/h4-7H,3H2,1-2H3,(H2,13,18,19).
What are the key properties of 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide?
4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 171353418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).