[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone

C24H17ClFNO4S — CID 2138360

IUPAC[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17ClFNO4S/c1-2-31-18-8-3-15(4-9-18)23(28)21-14-27-22-12-5-16(25)13-20(22)24(21)32(29,30)19-10-6-17(26)7-11-19/h3-14H,2H2,1H3
InChIKeyVLEUECBLZAPGBO-UHFFFAOYSA-N
MW469.92 g/mol
LogP5.49
Rot. Bonds6

About [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone

[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone (PubChem CID 2138360) has the molecular formula C24H17ClFNO4S and a molecular weight of 469.92 g/mol. Its IUPAC name is [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
PubChem CID2138360
Molecular FormulaC24H17ClFNO4S
Molecular Weight469.92 g/mol
Exact Mass469.06
IUPAC Name[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17ClFNO4S/c1-2-31-18-8-3-15(4-9-18)23(28)21-14-27-22-12-5-16(25)13-20(22)24(21)32(29,30)19-10-6-17(26)7-11-19/h3-14H,2H2,1H3
InChIKeyVLEUECBLZAPGBO-UHFFFAOYSA-N
XLogP5.49
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.92
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-chloro-4-(4-ethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2150597
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
CID 2137534
[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
CID 2137538
[4-(4-chlorophenyl)sulfonyl-6-methylquinolin-3-yl]-(4-methylphenyl)methanone
CID 20882685
[4-(3,4-dimethylphenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone
CID 2151438
(4-methoxyphenyl)-[6-methyl-4-(4-methylphenyl)sulfonylquinolin-3-yl]methanone
CID 2138245
[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
CID 18559754
(6-chloroquinolin-4-yl) 4-ethoxybenzenesulfonate
CID 71671351
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
ethyl 6-chloro-3-fluoroquinoline-4-carboxylate
CID 164533136
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone (CID 2138360) is [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is VLEUECBLZAPGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNO4S/c1-2-31-18-8-3-15(4-9-18)23(28)21-14-27-22-12-5-16(25)13-20(22)24(21)32(29,30)19-10-6-17(26)7-11-19/h3-14H,2H2,1H3.
What are the key properties of [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone?
[6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 469.92 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(4-fluorophenyl)sulfonylquinolin-3-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 2138360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).