4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline

C15H8Cl2FNO2S — CID 56923463

IUPAC4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1cccc(F)c1)c1cnc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C15H8Cl2FNO2S/c16-9-4-5-13-12(6-9)15(17)14(8-19-13)22(20,21)11-3-1-2-10(18)7-11/h1-8H
InChIKeyZSUSIESABKGWDS-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.51
Rot. Bonds2

About 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline

4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline (PubChem CID 56923463) has the molecular formula C15H8Cl2FNO2S and a molecular weight of 356.21 g/mol. Its IUPAC name is 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline.

Molecular Properties

Compound Name4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
PubChem CID56923463
Molecular FormulaC15H8Cl2FNO2S
Molecular Weight356.21 g/mol
Exact Mass354.96
IUPAC Name4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1cccc(F)c1)c1cnc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C15H8Cl2FNO2S/c16-9-4-5-13-12(6-9)15(17)14(8-19-13)22(20,21)11-3-1-2-10(18)7-11/h1-8H
InChIKeyZSUSIESABKGWDS-UHFFFAOYSA-N
XLogP4.51
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
CID 56923459
4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
CID 56923453
5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile
CID 71823826
3-(benzenesulfonyl)-6-chloro-N,N-diethylquinolin-4-amine
CID 7184184
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097
6-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methylsulfonylpiperazin-1-yl)quinoline
CID 53491017
4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
CID 71823834
3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
CID 25167451
6-chloro-8-fluoro-3-(3-fluorophenyl)sulfonyl-1H-quinolin-4-one
CID 46507324
2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
CID 91595214
3-(3,4-difluorophenyl)sulfonyl-4-(3-fluorophenyl)-7-nitroquinoline
CID 67000175
8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
CID 25169332

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline?
The IUPAC name of 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline (CID 56923463) is 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline.
What is the SMILES notation for 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline?
The canonical SMILES for 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline is O=S(=O)(c1cccc(F)c1)c1cnc2ccc(Cl)cc2c1Cl.
What is the InChIKey of 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline?
The InChIKey is ZSUSIESABKGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO2S/c16-9-4-5-13-12(6-9)15(17)14(8-19-13)22(20,21)11-3-1-2-10(18)7-11/h1-8H.
What are the key properties of 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline?
4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline has a molecular weight of 356.21 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline is sourced from PubChem (CID 56923463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).