1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine

C13H16F4N2O2S — CID 120710063

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C13H16F4N2O2S/c1-18-9-4-6-19(7-5-9)22(20,21)10-2-3-11(12(14)8-10)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3
InChIKeyUMHRRJMPVVISBF-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.22
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine

1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine (PubChem CID 120710063) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
PubChem CID120710063
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C13H16F4N2O2S/c1-18-9-4-6-19(7-5-9)22(20,21)10-2-3-11(12(14)8-10)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3
InChIKeyUMHRRJMPVVISBF-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine
CID 120711972
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
3-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120711750
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975104
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine (CID 120710063) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is UMHRRJMPVVISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c1-18-9-4-6-19(7-5-9)22(20,21)10-2-3-11(12(14)8-10)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 340.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 120710063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).