(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride

C17H21ClF3N3O4S — CID 155285979

IUPAC(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride
SMILESC[C@](O)(CS(=O)(=O)C1CCNCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H20F3N3O4S.ClH/c1-16(25,10-28(26,27)13-4-6-22-7-5-13)15(24)23-12-3-2-11(9-21)14(8-12)17(18,19)20;/h2-3,8,13,22,25H,4-7,10H2,1H3,(H,23,24);1H/t16-;/m0./s1
InChIKeyZGBVJHGONPBJRH-NTISSMGPSA-N
MW455.89 g/mol
LogP1.86
Rot. Bonds5

About (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride

(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride (PubChem CID 155285979) has the molecular formula C17H21ClF3N3O4S and a molecular weight of 455.89 g/mol. Its IUPAC name is (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride
PubChem CID155285979
Molecular FormulaC17H21ClF3N3O4S
Molecular Weight455.89 g/mol
Exact Mass455.09
IUPAC Name(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride
SMILESC[C@](O)(CS(=O)(=O)C1CCNCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H20F3N3O4S.ClH/c1-16(25,10-28(26,27)13-4-6-22-7-5-13)15(24)23-12-3-2-11(9-21)14(8-12)17(18,19)20;/h2-3,8,13,22,25H,4-7,10H2,1H3,(H,23,24);1H/t16-;/m0./s1
InChIKeyZGBVJHGONPBJRH-NTISSMGPSA-N
XLogP1.86
TPSA119.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.89
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 76972530
3-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 127043703
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 58233827
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-prop-1-en-2-ylphenyl)sulfonylpropanamide
CID 174315383
(2S)-3-[4-[(2-chloroacetyl)amino]phenyl]sulfonyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 122661353
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 71046957
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]sulfonyl-2-hydroxy-2-methylpropanamide
CID 146184279
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11635858
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-11-pentylsulfonylundecanamide
CID 71103508
(2S)-10-butylsulfonyl-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyldecanamide
CID 69163757
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide;4-methylbenzonitrile
CID 143505949

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride?
The IUPAC name of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride (CID 155285979) is (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride is C[C@](O)(CS(=O)(=O)C1CCNCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride?
The InChIKey is ZGBVJHGONPBJRH-NTISSMGPSA-N. The full InChI is InChI=1S/C17H20F3N3O4S.ClH/c1-16(25,10-28(26,27)13-4-6-22-7-5-13)15(24)23-12-3-2-11(9-21)14(8-12)17(18,19)20;/h2-3,8,13,22,25H,4-7,10H2,1H3,(H,23,24);1H/t16-;/m0./s1.
What are the key properties of (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride?
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride has a molecular weight of 455.89 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-piperidin-4-ylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 155285979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).