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

C24H23FN2O3S — CID 17248111

IUPACN-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN2O3S/c1-2-17-5-11-21(12-6-17)26-31(29,30)22-13-14-23-19(16-22)4-3-15-27(23)24(28)18-7-9-20(25)10-8-18/h5-14,16,26H,2-4,15H2,1H3
InChIKeyXQTTXGRSLDEIET-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.78
Rot. Bonds5

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

N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248111) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248111
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC NameN-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN2O3S/c1-2-17-5-11-21(12-6-17)26-31(29,30)22-13-14-23-19(16-22)4-3-15-27(23)24(28)18-7-9-20(25)10-8-18/h5-14,16,26H,2-4,15H2,1H3
InChIKeyXQTTXGRSLDEIET-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248135
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
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-(3-bromophenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248119
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
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
N-cyclooctyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248176
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
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 N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248111) is N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is XQTTXGRSLDEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-2-17-5-11-21(12-6-17)26-31(29,30)22-13-14-23-19(16-22)4-3-15-27(23)24(28)18-7-9-20(25)10-8-18/h5-14,16,26H,2-4,15H2,1H3.
What are the key properties of N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 438.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).