3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline

C21H11Cl2F2NO2S — CID 25167857

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H11Cl2F2NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(24)9-19(16)26-11-20(21)29(27,28)15-6-8-18(25)17(23)10-15/h1-11H
InChIKeyCWDRRLFHHJPBBQ-UHFFFAOYSA-N
MW450.29 g/mol
LogP6.32
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline

3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline (PubChem CID 25167857) has the molecular formula C21H11Cl2F2NO2S and a molecular weight of 450.29 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline
PubChem CID25167857
Molecular FormulaC21H11Cl2F2NO2S
Molecular Weight450.29 g/mol
Exact Mass448.99
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H11Cl2F2NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(24)9-19(16)26-11-20(21)29(27,28)15-6-8-18(25)17(23)10-15/h1-11H
InChIKeyCWDRRLFHHJPBBQ-UHFFFAOYSA-N
XLogP6.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline (CID 25167857) is 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline is O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline?
The InChIKey is CWDRRLFHHJPBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F2NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(24)9-19(16)26-11-20(21)29(27,28)15-6-8-18(25)17(23)10-15/h1-11H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline?
3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline has a molecular weight of 450.29 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-chlorophenyl)-7-fluoroquinoline is sourced from PubChem (CID 25167857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).