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

C12H15Cl2F3N2O2S — CID 119963008

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c1-17-8-4-5-18(7-8)21(19,20)9-2-3-11(13)10(6-9)12(14,15)16;/h2-3,6,8,17H,4-5,7H2,1H3;1H
InChIKeyIWLBGMVIYCFMTI-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.76
Rot. Bonds3

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

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119963008) has the molecular formula C12H15Cl2F3N2O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119963008
Molecular FormulaC12H15Cl2F3N2O2S
Molecular Weight379.23 g/mol
Exact Mass378.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c1-17-8-4-5-18(7-8)21(19,20)9-2-3-11(13)10(6-9)12(14,15)16;/h2-3,6,8,17H,4-5,7H2,1H3;1H
InChIKeyIWLBGMVIYCFMTI-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.76
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]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 120710063
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
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
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride (CID 119963008) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is IWLBGMVIYCFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S.ClH/c1-17-8-4-5-18(7-8)21(19,20)9-2-3-11(13)10(6-9)12(14,15)16;/h2-3,6,8,17H,4-5,7H2,1H3;1H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 379.23 g/mol, XLogP of 2.76, 3 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-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119963008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).