3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

C11H12ClF3N2O3S — CID 64608278

IUPAC3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C11H12ClF3N2O3S/c12-9-4-8(5-16-10(9)18)21(19,20)17-3-1-2-7(6-17)11(13,14)15/h4-5,7H,1-3,6H2,(H,16,18)
InChIKeyVSOVECPDAZYASN-UHFFFAOYSA-N
MW344.74 g/mol
LogP1.99
Rot. Bonds2

About 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 64608278) has the molecular formula C11H12ClF3N2O3S and a molecular weight of 344.74 g/mol. Its IUPAC name is 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID64608278
Molecular FormulaC11H12ClF3N2O3S
Molecular Weight344.74 g/mol
Exact Mass344.02
IUPAC Name3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1[nH]cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C11H12ClF3N2O3S/c12-9-4-8(5-16-10(9)18)21(19,20)17-3-1-2-7(6-17)11(13,14)15/h4-5,7H,1-3,6H2,(H,16,18)
InChIKeyVSOVECPDAZYASN-UHFFFAOYSA-N
XLogP1.99
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 2928083
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64608490
3-fluoro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 63322882
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 64608248
3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 64608278) is 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is O=c1[nH]cc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1Cl.
What is the InChIKey of 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is VSOVECPDAZYASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3S/c12-9-4-8(5-16-10(9)18)21(19,20)17-3-1-2-7(6-17)11(13,14)15/h4-5,7H,1-3,6H2,(H,16,18).
What are the key properties of 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 344.74 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64608278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).