1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide

C16H20N6O2S — CID 126788486

IUPAC1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3cn(CC(C)C)cn3)cc2)n[nH]1
InChIInChI=1S/C16H20N6O2S/c1-11(2)8-22-9-15(17-10-22)25(23,24)21-14-6-4-13(5-7-14)16-18-12(3)19-20-16/h4-7,9-11,21H,8H2,1-3H3,(H,18,19,20)
InChIKeyHQZNOGNAARJTDY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.43
Rot. Bonds6

About 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide

1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide (PubChem CID 126788486) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide
PubChem CID126788486
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3cn(CC(C)C)cn3)cc2)n[nH]1
InChIInChI=1S/C16H20N6O2S/c1-11(2)8-22-9-15(17-10-22)25(23,24)21-14-6-4-13(5-7-14)16-18-12(3)19-20-16/h4-7,9-11,21H,8H2,1-3H3,(H,18,19,20)
InChIKeyHQZNOGNAARJTDY-UHFFFAOYSA-N
XLogP2.43
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide (CID 126788486) is 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3cn(CC(C)C)cn3)cc2)n[nH]1.
What is the InChIKey of 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide?
The InChIKey is HQZNOGNAARJTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-11(2)8-22-9-15(17-10-22)25(23,24)21-14-6-4-13(5-7-14)16-18-12(3)19-20-16/h4-7,9-11,21H,8H2,1-3H3,(H,18,19,20).
What are the key properties of 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide?
1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 126788486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).