N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

C19H19FN2O4S — CID 126766650

IUPACN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCC1(C)Cc2cccc(S(=O)(=O)Nc3cc4c(cc3F)NC(=O)CC4)c2O1
InChIInChI=1S/C19H19FN2O4S/c1-19(2)10-12-4-3-5-16(18(12)26-19)27(24,25)22-15-8-11-6-7-17(23)21-14(11)9-13(15)20/h3-5,8-9,22H,6-7,10H2,1-2H3,(H,21,23)
InChIKeyPIGZKTAORKOPNG-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.22
Rot. Bonds3

About N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide (PubChem CID 126766650) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
PubChem CID126766650
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCC1(C)Cc2cccc(S(=O)(=O)Nc3cc4c(cc3F)NC(=O)CC4)c2O1
InChIInChI=1S/C19H19FN2O4S/c1-19(2)10-12-4-3-5-16(18(12)26-19)27(24,25)22-15-8-11-6-7-17(23)21-14(11)9-13(15)20/h3-5,8-9,22H,6-7,10H2,1-2H3,(H,21,23)
InChIKeyPIGZKTAORKOPNG-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 99836873
7-fluoro-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55731030
N-(3-bromo-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55896457
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 61275744
N-(4-chloro-3-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46925987
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31824874
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 100730535
N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 55731159

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The IUPAC name of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide (CID 126766650) is N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide is CC1(C)Cc2cccc(S(=O)(=O)Nc3cc4c(cc3F)NC(=O)CC4)c2O1.
What is the InChIKey of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The InChIKey is PIGZKTAORKOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-19(2)10-12-4-3-5-16(18(12)26-19)27(24,25)22-15-8-11-6-7-17(23)21-14(11)9-13(15)20/h3-5,8-9,22H,6-7,10H2,1-2H3,(H,21,23).
What are the key properties of N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide has a molecular weight of 390.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 126766650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).