(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride

C11H13Cl2F3N2O2S — CID 119962514

IUPAC(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C11H12ClF3N2O2S.ClH/c12-10-2-1-8(5-9(10)11(13,14)15)20(18,19)17-4-3-7(16)6-17;/h1-2,5,7H,3-4,6,16H2;1H/t7-;/m1./s1
InChIKeyCCIXJGRGHYDGOF-OGFXRTJISA-N
MW365.20 g/mol
LogP2.50
Rot. Bonds2

About (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962514) has the molecular formula C11H13Cl2F3N2O2S and a molecular weight of 365.20 g/mol. Its IUPAC name is (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962514
Molecular FormulaC11H13Cl2F3N2O2S
Molecular Weight365.20 g/mol
Exact Mass364.00
IUPAC Name(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C11H12ClF3N2O2S.ClH/c12-10-2-1-8(5-9(10)11(13,14)15)20(18,19)17-4-3-7(16)6-17;/h1-2,5,7H,3-4,6,16H2;1H/t7-;/m1./s1
InChIKeyCCIXJGRGHYDGOF-OGFXRTJISA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959016
(3R)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962428
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962514) is (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CCIXJGRGHYDGOF-OGFXRTJISA-N. The full InChI is InChI=1S/C11H12ClF3N2O2S.ClH/c12-10-2-1-8(5-9(10)11(13,14)15)20(18,19)17-4-3-7(16)6-17;/h1-2,5,7H,3-4,6,16H2;1H/t7-;/m1./s1.
What are the key properties of (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 365.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).