2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide

C10H9N3O4S — CID 90950091

IUPAC2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c2ccc(S(N)(=O)=O)cc12
InChIInChI=1S/C10H9N3O4S/c11-10(15)7-4-9(14)13-8-2-1-5(3-6(7)8)18(12,16)17/h1-4H,(H2,11,15)(H,13,14)(H2,12,16,17)
InChIKeyMYXFWQHSBINAAI-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.73
Rot. Bonds2

About 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide

2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide (PubChem CID 90950091) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide
PubChem CID90950091
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c2ccc(S(N)(=O)=O)cc12
InChIInChI=1S/C10H9N3O4S/c11-10(15)7-4-9(14)13-8-2-1-5(3-6(7)8)18(12,16)17/h1-4H,(H2,11,15)(H,13,14)(H2,12,16,17)
InChIKeyMYXFWQHSBINAAI-UHFFFAOYSA-N
XLogP-0.73
TPSA136.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide (CID 90950091) is 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide is NC(=O)c1cc(=O)[nH]c2ccc(S(N)(=O)=O)cc12.
What is the InChIKey of 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide?
The InChIKey is MYXFWQHSBINAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c11-10(15)7-4-9(14)13-8-2-1-5(3-6(7)8)18(12,16)17/h1-4H,(H2,11,15)(H,13,14)(H2,12,16,17).
What are the key properties of 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide?
2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide has a molecular weight of 267.27 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-sulfamoyl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 90950091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).