1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride

C13H17Cl2F3N2O2S — CID 119984003

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1N.Cl
InChIInChI=1S/C13H16ClF3N2O2S.ClH/c1-8-7-19(5-4-12(8)18)22(20,21)9-2-3-11(14)10(6-9)13(15,16)17;/h2-3,6,8,12H,4-5,7,18H2,1H3;1H
InChIKeySNGYKHVSURLPDK-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.14
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119984003) has the molecular formula C13H17Cl2F3N2O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119984003
Molecular FormulaC13H17Cl2F3N2O2S
Molecular Weight393.26 g/mol
Exact Mass392.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1N.Cl
InChIInChI=1S/C13H16ClF3N2O2S.ClH/c1-8-7-19(5-4-12(8)18)22(20,21)9-2-3-11(14)10(6-9)13(15,16)17;/h2-3,6,8,12H,4-5,7,18H2,1H3;1H
InChIKeySNGYKHVSURLPDK-UHFFFAOYSA-N
XLogP3.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962514
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959016
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride (CID 119984003) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1N.Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is SNGYKHVSURLPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2S.ClH/c1-8-7-19(5-4-12(8)18)22(20,21)9-2-3-11(14)10(6-9)13(15,16)17;/h2-3,6,8,12H,4-5,7,18H2,1H3;1H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 393.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).