1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

C21H20ClN3O3S2 — CID 4114795

IUPAC1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3S2/c22-16-9-11-17(12-10-16)30(27,28)25-13-5-4-8-19(25)20(26)24-21-23-18(14-29-21)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H,23,24,26)
InChIKeyQXMVSWZINXLXBF-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 4114795) has the molecular formula C21H20ClN3O3S2 and a molecular weight of 462.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID4114795
Molecular FormulaC21H20ClN3O3S2
Molecular Weight462.00 g/mol
Exact Mass461.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3S2/c22-16-9-11-17(12-10-16)30(27,28)25-13-5-4-8-19(25)20(26)24-21-23-18(14-29-21)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H,23,24,26)
InChIKeyQXMVSWZINXLXBF-UHFFFAOYSA-N
XLogP4.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 4114795) is 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is QXMVSWZINXLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S2/c22-16-9-11-17(12-10-16)30(27,28)25-13-5-4-8-19(25)20(26)24-21-23-18(14-29-21)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13H2,(H,23,24,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 462.00 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 4114795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).