4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline

C16H11ClFNO2S — CID 56923459

IUPAC4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
SMILESCc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(Cl)c2c1
InChIInChI=1S/C16H11ClFNO2S/c1-10-5-6-14-13(7-10)16(17)15(9-19-14)22(20,21)12-4-2-3-11(18)8-12/h2-9H,1H3
InChIKeyXKLOAEWFYASMEJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline

4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline (PubChem CID 56923459) has the molecular formula C16H11ClFNO2S and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
PubChem CID56923459
Molecular FormulaC16H11ClFNO2S
Molecular Weight335.79 g/mol
Exact Mass335.02
IUPAC Name4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
SMILESCc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(Cl)c2c1
InChIInChI=1S/C16H11ClFNO2S/c1-10-5-6-14-13(7-10)16(17)15(9-19-14)22(20,21)12-4-2-3-11(18)8-12/h2-9H,1H3
InChIKeyXKLOAEWFYASMEJ-UHFFFAOYSA-N
XLogP4.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline (CID 56923459) is 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline is Cc1ccc2ncc(S(=O)(=O)c3cccc(F)c3)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline?
The InChIKey is XKLOAEWFYASMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S/c1-10-5-6-14-13(7-10)16(17)15(9-19-14)22(20,21)12-4-2-3-11(18)8-12/h2-9H,1H3.
What are the key properties of 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline?
4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline has a molecular weight of 335.79 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline is sourced from PubChem (CID 56923459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).