1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline

C19H20FNO3S — CID 1118706

IUPAC1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3S/c1-13-12-19(2,3)21(18-10-7-15(24-4)11-17(13)18)25(22,23)16-8-5-14(20)6-9-16/h5-12H,1-4H3
InChIKeyBPJPXMWYCDAXLV-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.23
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline

1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline (PubChem CID 1118706) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline
PubChem CID1118706
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline
SMILESCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO3S/c1-13-12-19(2,3)21(18-10-7-15(24-4)11-17(13)18)25(22,23)16-8-5-14(20)6-9-16/h5-12H,1-4H3
InChIKeyBPJPXMWYCDAXLV-UHFFFAOYSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline (CID 1118706) is 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline is COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline?
The InChIKey is BPJPXMWYCDAXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-13-12-19(2,3)21(18-10-7-15(24-4)11-17(13)18)25(22,23)16-8-5-14(20)6-9-16/h5-12H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline?
1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline has a molecular weight of 361.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,2,4-trimethylquinoline is sourced from PubChem (CID 1118706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).