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

C24H23FN2O4S — CID 17248135

IUPACN-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN2O4S/c1-2-31-21-11-9-20(10-12-21)26-32(29,30)22-13-14-23-18(16-22)4-3-15-27(23)24(28)17-5-7-19(25)8-6-17/h5-14,16,26H,2-4,15H2,1H3
InChIKeyFMQVWMJUNKMGDS-UHFFFAOYSA-N
MW454.52 g/mol
LogP4.62
Rot. Bonds6

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

N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248135) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248135
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC NameN-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN2O4S/c1-2-31-21-11-9-20(10-12-21)26-32(29,30)22-13-14-23-18(16-22)4-3-15-27(23)24(28)17-5-7-19(25)8-6-17/h5-14,16,26H,2-4,15H2,1H3
InChIKeyFMQVWMJUNKMGDS-UHFFFAOYSA-N
XLogP4.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
1-(4-fluorobenzoyl)-N-(4-phenoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248136
1-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248236
4-fluoro-N-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzenesulfonamide
CID 37332333
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
N-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248119
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248135) is N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is FMQVWMJUNKMGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-2-31-21-11-9-20(10-12-21)26-32(29,30)22-13-14-23-18(16-22)4-3-15-27(23)24(28)17-5-7-19(25)8-6-17/h5-14,16,26H,2-4,15H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 454.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).