(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride

C14H19ClF3N3O3S — CID 119265690

IUPAC(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C14H18F3N3O3S.ClH/c1-10(18)13(21)19-5-7-20(8-6-19)24(22,23)12-4-2-3-11(9-12)14(15,16)17;/h2-4,9-10H,5-8,18H2,1H3;1H/t10-;/m1./s1
InChIKeyVTGWSUFWIMINKN-HNCPQSOCSA-N
MW401.84 g/mol
LogP1.31
Rot. Bonds3

About (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119265690) has the molecular formula C14H19ClF3N3O3S and a molecular weight of 401.84 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119265690
Molecular FormulaC14H19ClF3N3O3S
Molecular Weight401.84 g/mol
Exact Mass401.08
IUPAC Name(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C14H18F3N3O3S.ClH/c1-10(18)13(21)19-5-7-20(8-6-19)24(22,23)12-4-2-3-11(9-12)14(15,16)17;/h2-4,9-10H,5-8,18H2,1H3;1H/t10-;/m1./s1
InChIKeyVTGWSUFWIMINKN-HNCPQSOCSA-N
XLogP1.31
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one
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2-amino-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-1-one
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1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
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(2R)-2-amino-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265525
cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
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1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
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(3-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925108
N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 40752351
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]methanesulfonamide
CID 55605549
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride (CID 119265690) is (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is VTGWSUFWIMINKN-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H18F3N3O3S.ClH/c1-10(18)13(21)19-5-7-20(8-6-19)24(22,23)12-4-2-3-11(9-12)14(15,16)17;/h2-4,9-10H,5-8,18H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 401.84 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119265690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).