[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

8-Chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)quinoline-3-carboxamide
CID 46191159
(4-((4-Ethoxyphenyl)sulfonyl)-6-methylquinolin-3-yl)(4-ethylphenyl)methanone
CID 2151455
3-(3,4-Dimethylbenzoyl)-6-fluoro-4-(4-methoxybenzenesulfonyl)quinoline
CID 16010989
N-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenyl]-4-isopropoxy-benzenesulfonamide
CID 10343453
N-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenyl]-4-isopropoxy-benzenesulfonamide
CID 10366204
4-(Benzenesulfonyl)-3-(4-methoxybenzoyl)-6-methylquinoline
CID 16010977
(6-Chloro-4-tosylquinolin-3-yl)(4-ethoxyphenyl)methanone
CID 16010979
3-(4-Ethylbenzoyl)-4-(4-methoxybenzenesulfonyl)-6-methylquinoline
CID 16011007
(3,4-Dimethylphenyl)(4-((4-ethoxyphenyl)sulfonyl)quinolin-3-yl)methanone
CID 16011009
[4-[(E)-2-(7-chloroquinolin-4-yl)sulfanyl-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
CID 145969598
(6-Chloro-4-pyrrolidin-1-ylquinolin-3-yl)-(4-ethoxyphenyl)methanone
CID 5642395
3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline
CID 6624762

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).