(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C16H15ClF3N3O3S2 — CID 51961625

IUPAC(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1
InChIInChI=1S/C16H15ClF3N3O3S2/c17-11-3-4-13(12(8-11)16(18,19)20)28(25,26)23-6-1-2-10(9-23)14(24)22-15-21-5-7-27-15/h3-5,7-8,10H,1-2,6,9H2,(H,21,22,24)/t10-/m1/s1
InChIKeyCOIVJVDVGKUTCX-SNVBAGLBSA-N
MW453.90 g/mol
LogP3.85
Rot. Bonds4

About (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51961625) has the molecular formula C16H15ClF3N3O3S2 and a molecular weight of 453.90 g/mol. Its IUPAC name is (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID51961625
Molecular FormulaC16H15ClF3N3O3S2
Molecular Weight453.90 g/mol
Exact Mass453.02
IUPAC Name(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1
InChIInChI=1S/C16H15ClF3N3O3S2/c17-11-3-4-13(12(8-11)16(18,19)20)28(25,26)23-6-1-2-10(9-23)14(24)22-15-21-5-7-27-15/h3-5,7-8,10H,1-2,6,9H2,(H,21,22,24)/t10-/m1/s1
InChIKeyCOIVJVDVGKUTCX-SNVBAGLBSA-N
XLogP3.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide 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

(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
CID 79031548
(3S)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92746969
(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 30474020
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 2992639
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
(3S)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126398447
4-fluoro-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2994136
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 51961625) is (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1.
What is the InChIKey of (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is COIVJVDVGKUTCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3S2/c17-11-3-4-13(12(8-11)16(18,19)20)28(25,26)23-6-1-2-10(9-23)14(24)22-15-21-5-7-27-15/h3-5,7-8,10H,1-2,6,9H2,(H,21,22,24)/t10-/m1/s1.
What are the key properties of (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 453.90 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51961625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).