3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C21H18F2N2O4S2 — CID 18565205

IUPAC3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccc(F)c1
InChIInChI=1S/C21H18F2N2O4S2/c22-16-7-10-19(11-8-16)31(28,29)25-12-2-3-15-6-9-18(14-21(15)25)24-30(26,27)20-5-1-4-17(23)13-20/h1,4-11,13-14,24H,2-3,12H2
InChIKeyQKKVEWZVZGXBFL-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.91
Rot. Bonds5

About 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 18565205) has the molecular formula C21H18F2N2O4S2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID18565205
Molecular FormulaC21H18F2N2O4S2
Molecular Weight464.52 g/mol
Exact Mass464.07
IUPAC Name3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccc(F)c1
InChIInChI=1S/C21H18F2N2O4S2/c22-16-7-10-19(11-8-16)31(28,29)25-12-2-3-15-6-9-18(14-21(15)25)24-30(26,27)20-5-1-4-17(23)13-20/h1,4-11,13-14,24H,2-3,12H2
InChIKeyQKKVEWZVZGXBFL-UHFFFAOYSA-N
XLogP3.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 43990543
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
1-chloro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 43990533
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 43990523
3,4-difluoro-N-[1-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 175293375
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
methyl 2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]benzoate
CID 141486298
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
CID 43990532
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
4-ethyl-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27368912

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 18565205) is 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is QKKVEWZVZGXBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S2/c22-16-7-10-19(11-8-16)31(28,29)25-12-2-3-15-6-9-18(14-21(15)25)24-30(26,27)20-5-1-4-17(23)13-20/h1,4-11,13-14,24H,2-3,12H2.
What are the key properties of 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 464.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 18565205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).