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

C16H15F2NO2S — CID 39846351

IUPAC8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO2S/c1-11-8-12-4-3-7-19(16(12)15(18)9-11)22(20,21)14-6-2-5-13(17)10-14/h2,5-6,8-10H,3-4,7H2,1H3
InChIKeyQDFQSFJLRCMWOF-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.41
Rot. Bonds2

About 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline

8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 39846351) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID39846351
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO2S/c1-11-8-12-4-3-7-19(16(12)15(18)9-11)22(20,21)14-6-2-5-13(17)10-14/h2,5-6,8-10H,3-4,7H2,1H3
InChIKeyQDFQSFJLRCMWOF-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline (CID 39846351) is 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline is Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QDFQSFJLRCMWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-11-8-12-4-3-7-19(16(12)15(18)9-11)22(20,21)14-6-2-5-13(17)10-14/h2,5-6,8-10H,3-4,7H2,1H3.
What are the key properties of 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 323.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 39846351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).