[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine

C13H16ClF3N2O2S — CID 120707945

IUPAC[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O2S/c14-10-5-9(13(15,16)17)6-12(7-10)22(20,21)19-4-2-1-3-11(19)8-18/h5-7,11H,1-4,8,18H2
InChIKeyYVSBNDYQJKCTRJ-UHFFFAOYSA-N
MW356.80 g/mol
LogP2.86
Rot. Bonds3

About [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine

[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine (PubChem CID 120707945) has the molecular formula C13H16ClF3N2O2S and a molecular weight of 356.80 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine
PubChem CID120707945
Molecular FormulaC13H16ClF3N2O2S
Molecular Weight356.80 g/mol
Exact Mass356.06
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine
SMILESNCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O2S/c14-10-5-9(13(15,16)17)6-12(7-10)22(20,21)19-4-2-1-3-11(19)8-18/h5-7,11H,1-4,8,18H2
InChIKeyYVSBNDYQJKCTRJ-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120762959
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 124591893
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988722
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 119969568
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine (CID 120707945) is [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine is NCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine?
The InChIKey is YVSBNDYQJKCTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2S/c14-10-5-9(13(15,16)17)6-12(7-10)22(20,21)19-4-2-1-3-11(19)8-18/h5-7,11H,1-4,8,18H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine?
[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine has a molecular weight of 356.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 120707945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).