6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide

C17H15FN2O4S — CID 110635108

IUPAC6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C17H15FN2O4S/c1-11-2-5-13(6-3-11)25(23,24)19-17(22)20-9-8-16(21)14-10-12(18)4-7-15(14)20/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyPVBBDISMUUIPGO-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.63
Rot. Bonds2

About 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide

6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide (PubChem CID 110635108) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide
PubChem CID110635108
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C17H15FN2O4S/c1-11-2-5-13(6-3-11)25(23,24)19-17(22)20-9-8-16(21)14-10-12(18)4-7-15(14)20/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyPVBBDISMUUIPGO-UHFFFAOYSA-N
XLogP2.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
CID 110316012
6-fluoro-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 110635094
2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid
CID 96594062
N,N-diethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxamide
CID 110635106
[1-[(4-methylphenyl)sulfonylcarbamoyl]-3,4-dihydro-2H-quinolin-6-yl] thiocyanate
CID 2308137
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
CID 23322466
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503
3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110602930

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide (CID 110635108) is 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCC(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is PVBBDISMUUIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-11-2-5-13(6-3-11)25(23,24)19-17(22)20-9-8-16(21)14-10-12(18)4-7-15(14)20/h2-7,10H,8-9H2,1H3,(H,19,22).
What are the key properties of 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide?
6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 110635108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).