N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide

C22H18ClFN2O3S — CID 4085591

IUPACN-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F
InChIInChI=1S/C22H18ClFN2O3S/c23-16-7-9-17(10-8-16)25-22(27)19-14-18(11-12-20(19)24)30(28,29)26-13-3-5-15-4-1-2-6-21(15)26/h1-2,4,6-12,14H,3,5,13H2,(H,25,27)
InChIKeyQZUYNWPLSXLWCH-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.87
Rot. Bonds4

About N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide

N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide (PubChem CID 4085591) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
PubChem CID4085591
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC NameN-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F
InChIInChI=1S/C22H18ClFN2O3S/c23-16-7-9-17(10-8-16)25-22(27)19-14-18(11-12-20(19)24)30(28,29)26-13-3-5-15-4-1-2-6-21(15)26/h1-2,4,6-12,14H,3,5,13H2,(H,25,27)
InChIKeyQZUYNWPLSXLWCH-UHFFFAOYSA-N
XLogP4.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4877414
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinolin-2(1H)-one
CID 3245003
N-{2-[(allylamino)carbonyl]phenyl}-3-(anilinosulfonyl)-4-chlorobenzamide
CID 2237563
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
CID 2704881
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
2,6-difluoro-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565104
2-chloro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565134
2,6-difluoro-N-(1-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18565138

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide (CID 4085591) is N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F.
What is the InChIKey of N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is QZUYNWPLSXLWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-16-7-9-17(10-8-16)25-22(27)19-14-18(11-12-20(19)24)30(28,29)26-13-3-5-15-4-1-2-6-21(15)26/h1-2,4,6-12,14H,3,5,13H2,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 444.92 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 4085591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).