3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline

C18H16FNO3S — CID 22425175

IUPAC3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline
SMILESCOc1c(S(=O)(=O)c2ccc(C)c(F)c2)cnc2ccc(C)cc12
InChIInChI=1S/C18H16FNO3S/c1-11-4-7-16-14(8-11)18(23-3)17(10-20-16)24(21,22)13-6-5-12(2)15(19)9-13/h4-10H,1-3H3
InChIKeyHTFZQLWNRPPUGQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.83
Rot. Bonds3

About 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline

3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline (PubChem CID 22425175) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline
PubChem CID22425175
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline
SMILESCOc1c(S(=O)(=O)c2ccc(C)c(F)c2)cnc2ccc(C)cc12
InChIInChI=1S/C18H16FNO3S/c1-11-4-7-16-14(8-11)18(23-3)17(10-20-16)24(21,22)13-6-5-12(2)15(19)9-13/h4-10H,1-3H3
InChIKeyHTFZQLWNRPPUGQ-UHFFFAOYSA-N
XLogP3.83
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline (CID 22425175) is 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline is COc1c(S(=O)(=O)c2ccc(C)c(F)c2)cnc2ccc(C)cc12.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline?
The InChIKey is HTFZQLWNRPPUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-11-4-7-16-14(8-11)18(23-3)17(10-20-16)24(21,22)13-6-5-12(2)15(19)9-13/h4-10H,1-3H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline?
3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline has a molecular weight of 345.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline is sourced from PubChem (CID 22425175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).