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

C16H15ClF3N3O3S2 — CID 2490994

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H15ClF3N3O3S2/c17-13-2-1-11(9-12(13)16(18,19)20)28(25,26)23-6-3-10(4-7-23)14(24)22-15-21-5-8-27-15/h1-2,5,8-10H,3-4,6-7H2,(H,21,22,24)
InChIKeyZRJGUUBYLQFLRE-UHFFFAOYSA-N
MW453.90 g/mol
LogP3.85
Rot. Bonds4

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

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 2490994) has the molecular formula C16H15ClF3N3O3S2 and a molecular weight of 453.90 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID2490994
Molecular FormulaC16H15ClF3N3O3S2
Molecular Weight453.90 g/mol
Exact Mass453.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H15ClF3N3O3S2/c17-13-2-1-11(9-12(13)16(18,19)20)28(25,26)23-6-3-10(4-7-23)14(24)22-15-21-5-8-27-15/h1-2,5,8-10H,3-4,6-7H2,(H,21,22,24)
InChIKeyZRJGUUBYLQFLRE-UHFFFAOYSA-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

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Related Compounds

1-((4-fluorophenyl)sulfonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822129
4-[(4-Chloro-benzenesulfonyl)-methyl-amino]-N-thiazol-2-yl-butyramide
CID 2054430
1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2110724
1-[(4-chlorophenyl)sulfonyl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919434
2-chloro-5-(piperidin-1-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102162
2-(1-((4-chlorophenyl)sulfonyl)piperidin-2-yl)-N-(thiazol-2-yl)acetamide
CID 16826821
2-[4-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 16386671
1-(2-(2-chloro-6-fluorophenyl)acetyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 49676997
(2S)-2-[4-(4-chloro-2,5-difluorophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 25074308
2-[4-(4-chloro-2,5-difluorophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 87420972
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2472302

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 2490994) is 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZRJGUUBYLQFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3S2/c17-13-2-1-11(9-12(13)16(18,19)20)28(25,26)23-6-3-10(4-7-23)14(24)22-15-21-5-8-27-15/h1-2,5,8-10H,3-4,6-7H2,(H,21,22,24).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-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 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2490994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).