N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide

C16H12N2O4S — CID 167905889

IUPACN-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C16H12N2O4S/c19-14-10-9-11-5-4-8-13(15(11)17-14)16(20)18-23(21,22)12-6-2-1-3-7-12/h1-10H,(H,17,19)(H,18,20)
InChIKeyFMRXBIIATYVDCE-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.65
Rot. Bonds3

About N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide

N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide (PubChem CID 167905889) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide
PubChem CID167905889
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C16H12N2O4S/c19-14-10-9-11-5-4-8-13(15(11)17-14)16(20)18-23(21,22)12-6-2-1-3-7-12/h1-10H,(H,17,19)(H,18,20)
InChIKeyFMRXBIIATYVDCE-UHFFFAOYSA-N
XLogP1.65
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide (CID 167905889) is N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cccc2ccc(=O)[nH]c12.
What is the InChIKey of N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide?
The InChIKey is FMRXBIIATYVDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-14-10-9-11-5-4-8-13(15(11)17-14)16(20)18-23(21,22)12-6-2-1-3-7-12/h1-10H,(H,17,19)(H,18,20).
What are the key properties of N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide?
N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-oxo-1H-quinoline-8-carboxamide is sourced from PubChem (CID 167905889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).