N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide

C16H14N6O2S — CID 167799347

IUPACN-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3cnn(-c4ccccc4)n3)[nH]c2c1
InChIInChI=1S/C16H14N6O2S/c1-17-25(23,24)12-7-8-13-14(9-12)20-16(19-13)15-10-18-22(21-15)11-5-3-2-4-6-11/h2-10,17H,1H3,(H,19,20)
InChIKeyFRHNIEVOEUBIJD-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide

N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide (PubChem CID 167799347) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide
PubChem CID167799347
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC NameN-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3cnn(-c4ccccc4)n3)[nH]c2c1
InChIInChI=1S/C16H14N6O2S/c1-17-25(23,24)12-7-8-13-14(9-12)20-16(19-13)15-10-18-22(21-15)11-5-3-2-4-6-11/h2-10,17H,1H3,(H,19,20)
InChIKeyFRHNIEVOEUBIJD-UHFFFAOYSA-N
XLogP1.72
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide (CID 167799347) is N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide is CNS(=O)(=O)c1ccc2nc(-c3cnn(-c4ccccc4)n3)[nH]c2c1.
What is the InChIKey of N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is FRHNIEVOEUBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-17-25(23,24)12-7-8-13-14(9-12)20-16(19-13)15-10-18-22(21-15)11-5-3-2-4-6-11/h2-10,17H,1H3,(H,19,20).
What are the key properties of N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide?
N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 354.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 167799347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).