1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H23FN2O3S — CID 29148983

IUPAC1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O3S/c1-17(18-6-3-2-4-7-18)26-31(29,30)22-13-14-23-20(16-22)8-5-15-27(23)24(28)19-9-11-21(25)12-10-19/h2-4,6-7,9-14,16-17,26H,5,8,15H2,1H3/t17-/m1/s1
InChIKeyPOXGGJIQRLIREU-QGZVFWFLSA-N
MW438.52 g/mol
LogP4.46
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 29148983) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID29148983
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O3S/c1-17(18-6-3-2-4-7-18)26-31(29,30)22-13-14-23-20(16-22)8-5-15-27(23)24(28)19-9-11-21(25)12-10-19/h2-4,6-7,9-14,16-17,26H,5,8,15H2,1H3/t17-/m1/s1
InChIKeyPOXGGJIQRLIREU-QGZVFWFLSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
1-(4-fluorobenzoyl)-N-(4-phenoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248136
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248119
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740
N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248278
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248135

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 29148983) is 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is POXGGJIQRLIREU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-17(18-6-3-2-4-7-18)26-31(29,30)22-13-14-23-20(16-22)8-5-15-27(23)24(28)19-9-11-21(25)12-10-19/h2-4,6-7,9-14,16-17,26H,5,8,15H2,1H3/t17-/m1/s1.
What are the key properties of 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 438.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 29148983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).