4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline

C17H13ClFNO3S — CID 91895097

IUPAC4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(Cl)c2c1
InChIInChI=1S/C17H13ClFNO3S/c1-10-3-5-12(8-14(10)19)24(21,22)16-9-20-15-6-4-11(23-2)7-13(15)17(16)18/h3-9H,1-2H3
InChIKeyNULFNRABVGYUIS-UHFFFAOYSA-N
MW365.81 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline

4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline (PubChem CID 91895097) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
PubChem CID91895097
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(Cl)c2c1
InChIInChI=1S/C17H13ClFNO3S/c1-10-3-5-12(8-14(10)19)24(21,22)16-9-20-15-6-4-11(23-2)7-13(15)17(16)18/h3-9H,1-2H3
InChIKeyNULFNRABVGYUIS-UHFFFAOYSA-N
XLogP4.18
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline?
The IUPAC name of 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline (CID 91895097) is 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline.
What is the SMILES notation for 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline?
The canonical SMILES for 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline is COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(F)c3)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline?
The InChIKey is NULFNRABVGYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c1-10-3-5-12(8-14(10)19)24(21,22)16-9-20-15-6-4-11(23-2)7-13(15)17(16)18/h3-9H,1-2H3.
What are the key properties of 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline?
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline has a molecular weight of 365.81 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline is sourced from PubChem (CID 91895097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).