5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

C12H16N4O3S — CID 113366285

IUPAC5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCOc1ccccc1-c1nnc(S(N)(=O)=O)n1C(C)C
InChIInChI=1S/C12H16N4O3S/c1-8(2)16-11(14-15-12(16)20(13,17)18)9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H2,13,17,18)
InChIKeyVMOWTMQMZQHKNA-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.18
Rot. Bonds4

About 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (PubChem CID 113366285) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
PubChem CID113366285
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
SMILESCOc1ccccc1-c1nnc(S(N)(=O)=O)n1C(C)C
InChIInChI=1S/C12H16N4O3S/c1-8(2)16-11(14-15-12(16)20(13,17)18)9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H2,13,17,18)
InChIKeyVMOWTMQMZQHKNA-UHFFFAOYSA-N
XLogP1.18
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methyl-4-oxo-1H-pyridin-3-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 136813028
2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 11581760
4-ethyl-3-(2-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole
CID 47095919
3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 54284537
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812
2-(2-methoxyphenoxy)-3-propan-2-ylimidazol-4-amine
CID 117190683
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673461
3-[(2,5-dimethylphenyl)methylsulfonyl]-4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazole
CID 52714096
3-(2-methoxyphenyl)-5-[(4-methylphenyl)methylsulfonyl]-4-prop-2-enyl-1,2,4-triazole
CID 99817710
4-(2-methoxyphenyl)-2-sulfamoylfuran-3-carboxamide
CID 134247795
2-ethyl-5-(2-methoxyphenyl)-3-propan-2-ylimidazol-4-amine
CID 62220440
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide (CID 113366285) is 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is COc1ccccc1-c1nnc(S(N)(=O)=O)n1C(C)C.
What is the InChIKey of 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
The InChIKey is VMOWTMQMZQHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8(2)16-11(14-15-12(16)20(13,17)18)9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H2,13,17,18).
What are the key properties of 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide?
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).