6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

C16H15F2NO2S — CID 2933162

IUPAC6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3
InChIKeyVLKRLGDNQLDSQU-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.49
Rot. Bonds2

About 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 2933162) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID2933162
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3
InChIKeyVLKRLGDNQLDSQU-UHFFFAOYSA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 2933162) is 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is VLKRLGDNQLDSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3.
What are the key properties of 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 323.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2933162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).