6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide

C17H13N7O3S — CID 118257149

IUPAC6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide
SMILESNC(=O)c1ccc2cc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)ccc2n1
InChIInChI=1S/C17H13N7O3S/c18-16(25)13-7-5-10-8-9(4-6-12(10)20-13)11-2-1-3-14(28(19,26)27)15(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyJLHPBTOVJVFJNT-UHFFFAOYSA-N
MW395.40 g/mol
LogP0.83
Rot. Bonds4

About 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide

6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide (PubChem CID 118257149) has the molecular formula C17H13N7O3S and a molecular weight of 395.40 g/mol. Its IUPAC name is 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide
PubChem CID118257149
Molecular FormulaC17H13N7O3S
Molecular Weight395.40 g/mol
Exact Mass395.08
IUPAC Name6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide
SMILESNC(=O)c1ccc2cc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)ccc2n1
InChIInChI=1S/C17H13N7O3S/c18-16(25)13-7-5-10-8-9(4-6-12(10)20-13)11-2-1-3-14(28(19,26)27)15(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyJLHPBTOVJVFJNT-UHFFFAOYSA-N
XLogP0.83
TPSA170.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide?
The IUPAC name of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide (CID 118257149) is 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide is NC(=O)c1ccc2cc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)ccc2n1.
What is the InChIKey of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide?
The InChIKey is JLHPBTOVJVFJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O3S/c18-16(25)13-7-5-10-8-9(4-6-12(10)20-13)11-2-1-3-14(28(19,26)27)15(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24).
What are the key properties of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide?
6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 118257149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).