N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C16H14F2N2O3S — CID 110383269

IUPACN-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C16H14F2N2O3S/c1-20-15-6-4-12(8-10(15)2-7-16(20)21)24(22,23)19-11-3-5-13(17)14(18)9-11/h3-6,8-9,19H,2,7H2,1H3
InChIKeyJTSIZDJPVIBCNF-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.67
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110383269) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110383269
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC NameN-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C16H14F2N2O3S/c1-20-15-6-4-12(8-10(15)2-7-16(20)21)24(22,23)19-11-3-5-13(17)14(18)9-11/h3-6,8-9,19H,2,7H2,1H3
InChIKeyJTSIZDJPVIBCNF-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
CID 110383213
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16820558
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 40889564
2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 20933603
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110383269) is N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is CN1C(=O)CCc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is JTSIZDJPVIBCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c1-20-15-6-4-12(8-10(15)2-7-16(20)21)24(22,23)19-11-3-5-13(17)14(18)9-11/h3-6,8-9,19H,2,7H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 352.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110383269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).