N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H18BrFN2O3S — CID 17248119

IUPACN-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21
InChIInChI=1S/C22H18BrFN2O3S/c23-17-4-1-5-19(14-17)25-30(28,29)20-10-11-21-16(13-20)3-2-12-26(21)22(27)15-6-8-18(24)9-7-15/h1,4-11,13-14,25H,2-3,12H2
InChIKeyLVGUPJCZRAKZRM-UHFFFAOYSA-N
MW489.37 g/mol
LogP4.98
Rot. Bonds4

About N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248119) has the molecular formula C22H18BrFN2O3S and a molecular weight of 489.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248119
Molecular FormulaC22H18BrFN2O3S
Molecular Weight489.37 g/mol
Exact Mass488.02
IUPAC NameN-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21
InChIInChI=1S/C22H18BrFN2O3S/c23-17-4-1-5-19(14-17)25-30(28,29)20-10-11-21-16(13-20)3-2-12-26(21)22(27)15-6-8-18(24)9-7-15/h1,4-11,13-14,25H,2-3,12H2
InChIKeyLVGUPJCZRAKZRM-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(4-fluorobenzoyl)-N-(4-phenoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248136
N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248135
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248119) is N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21.
What is the InChIKey of N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is LVGUPJCZRAKZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN2O3S/c23-17-4-1-5-19(14-17)25-30(28,29)20-10-11-21-16(13-20)3-2-12-26(21)22(27)15-6-8-18(24)9-7-15/h1,4-11,13-14,25H,2-3,12H2.
What are the key properties of N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 489.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).