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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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).