4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide

C18H16N6O2S — CID 11211191

IUPAC4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)n2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc12
InChIInChI=1S/C18H16N6O2S/c1-12-16-11-20-18(22-14-7-9-15(10-8-14)27(19,25)26)23-24(16)17(21-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H2,19,25,26)
InChIKeyOSGIHOCRIKNRJD-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.49
Rot. Bonds4

About 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide

4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide (PubChem CID 11211191) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide
PubChem CID11211191
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)n2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc12
InChIInChI=1S/C18H16N6O2S/c1-12-16-11-20-18(22-14-7-9-15(10-8-14)27(19,25)26)23-24(16)17(21-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H2,19,25,26)
InChIKeyOSGIHOCRIKNRJD-UHFFFAOYSA-N
XLogP2.49
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide (CID 11211191) is 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide is Cc1nc(-c2ccccc2)n2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc12.
What is the InChIKey of 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide?
The InChIKey is OSGIHOCRIKNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-12-16-11-20-18(22-14-7-9-15(10-8-14)27(19,25)26)23-24(16)17(21-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H2,19,25,26).
What are the key properties of 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide?
4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 11211191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).