2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide

C19H14N4O4S2 — CID 2511656

IUPAC2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H14N4O4S2/c24-17-11-15(14-3-1-2-4-16(14)22-17)18(25)21-12-5-7-13(8-6-12)29(26,27)23-19-20-9-10-28-19/h1-11H,(H,20,23)(H,21,25)(H,22,24)
InChIKeyAVTBUFLNGRBBTC-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.04
Rot. Bonds5

About 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide

2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide (PubChem CID 2511656) has the molecular formula C19H14N4O4S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide
PubChem CID2511656
Molecular FormulaC19H14N4O4S2
Molecular Weight426.48 g/mol
Exact Mass426.05
IUPAC Name2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H14N4O4S2/c24-17-11-15(14-3-1-2-4-16(14)22-17)18(25)21-12-5-7-13(8-6-12)29(26,27)23-19-20-9-10-28-19/h1-11H,(H,20,23)(H,21,25)(H,22,24)
InChIKeyAVTBUFLNGRBBTC-UHFFFAOYSA-N
XLogP3.04
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide (CID 2511656) is 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide?
The InChIKey is AVTBUFLNGRBBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S2/c24-17-11-15(14-3-1-2-4-16(14)22-17)18(25)21-12-5-7-13(8-6-12)29(26,27)23-19-20-9-10-28-19/h1-11H,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2511656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).