1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C16H15ClF3N3O3S2 — CID 2472302

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C16H15ClF3N3O3S2/c17-12-2-1-11(16(18,19)20)9-13(12)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)
InChIKeyRQLFUMKUTZORHW-UHFFFAOYSA-N
MW453.90 g/mol
LogP3.85
Rot. Bonds4

About 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 2472302) has the molecular formula C16H15ClF3N3O3S2 and a molecular weight of 453.90 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID2472302
Molecular FormulaC16H15ClF3N3O3S2
Molecular Weight453.90 g/mol
Exact Mass453.02
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C16H15ClF3N3O3S2/c17-12-2-1-11(16(18,19)20)9-13(12)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)
InChIKeyRQLFUMKUTZORHW-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 2472302) is 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is RQLFUMKUTZORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3S2/c17-12-2-1-11(16(18,19)20)9-13(12)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-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2472302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).