3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide

C24H18N6O3S — CID 10140079

IUPAC3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cnnn2-c2ccc3ccncc3c2)cc1
InChIInChI=1S/C24H18N6O3S/c25-34(32,33)23-4-2-1-3-21(23)17-5-8-19(9-6-17)28-24(31)22-15-27-29-30(22)20-10-7-16-11-12-26-14-18(16)13-20/h1-15H,(H,28,31)(H2,25,32,33)
InChIKeyYJDOSEWOUIRFOD-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.38
Rot. Bonds5

About 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide

3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide (PubChem CID 10140079) has the molecular formula C24H18N6O3S and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide
PubChem CID10140079
Molecular FormulaC24H18N6O3S
Molecular Weight470.51 g/mol
Exact Mass470.12
IUPAC Name3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cnnn2-c2ccc3ccncc3c2)cc1
InChIInChI=1S/C24H18N6O3S/c25-34(32,33)23-4-2-1-3-21(23)17-5-8-19(9-6-17)28-24(31)22-15-27-29-30(22)20-10-7-16-11-12-26-14-18(16)13-20/h1-15H,(H,28,31)(H2,25,32,33)
InChIKeyYJDOSEWOUIRFOD-UHFFFAOYSA-N
XLogP3.38
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
1-(6-fluoronaphthalen-2-yl)-N-[4-(2-sulfamoylphenyl)phenyl]tetrazole-5-carboxamide
CID 21366491
4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
CID 10183163
2-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10389524
3-(3-amino-3-oxoprop-1-ynyl)-1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-5-carboxamide
CID 10311500
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10276414
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
N-[2-(4-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-4-(2-sulfamoylphenyl)benzamide
CID 91541998
4-(3-formamidophenyl)-2-pyridin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 91132916
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 21366647

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide (CID 10140079) is 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cnnn2-c2ccc3ccncc3c2)cc1.
What is the InChIKey of 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide?
The InChIKey is YJDOSEWOUIRFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3S/c25-34(32,33)23-4-2-1-3-21(23)17-5-8-19(9-6-17)28-24(31)22-15-27-29-30(22)20-10-7-16-11-12-26-14-18(16)13-20/h1-15H,(H,28,31)(H2,25,32,33).
What are the key properties of 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide?
3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-7-yl-N-[4-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 10140079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).