6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one

C15H15F3N2O3S — CID 173231419

IUPAC6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCCCC3)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H15F3N2O3S/c16-15(17,18)11-9-12-10(4-5-14(21)19-12)8-13(11)24(22,23)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,19,21)
InChIKeySFFDFCUHWYCKFN-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.72
Rot. Bonds2

About 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one

6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 173231419) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID173231419
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCCCC3)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H15F3N2O3S/c16-15(17,18)11-9-12-10(4-5-14(21)19-12)8-13(11)24(22,23)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,19,21)
InChIKeySFFDFCUHWYCKFN-UHFFFAOYSA-N
XLogP2.72
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 10566988
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 71874703
7-fluoro-1H-quinolin-2-one
CID 19067575
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
6-(azepan-1-ylsulfonyl)-7-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 20913976
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one (CID 173231419) is 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one is O=c1ccc2cc(S(=O)(=O)N3CCCCC3)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is SFFDFCUHWYCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c16-15(17,18)11-9-12-10(4-5-14(21)19-12)8-13(11)24(22,23)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,19,21).
What are the key properties of 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one?
6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 360.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylsulfonyl-7-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 173231419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).