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

C21H19Cl2N3O3S2 — CID 16804454

IUPAC1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19Cl2N3O3S2/c22-16-3-1-14(2-4-16)19-13-30-21(24-19)25-20(27)15-9-11-26(12-10-15)31(28,29)18-7-5-17(23)6-8-18/h1-8,13,15H,9-12H2,(H,24,25,27)
InChIKeyORZBKRODNOVDNZ-UHFFFAOYSA-N
MW496.44 g/mol
LogP5.16
Rot. Bonds5

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

1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16804454) has the molecular formula C21H19Cl2N3O3S2 and a molecular weight of 496.44 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID16804454
Molecular FormulaC21H19Cl2N3O3S2
Molecular Weight496.44 g/mol
Exact Mass495.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H19Cl2N3O3S2/c22-16-3-1-14(2-4-16)19-13-30-21(24-19)25-20(27)15-9-11-26(12-10-15)31(28,29)18-7-5-17(23)6-8-18/h1-8,13,15H,9-12H2,(H,24,25,27)
InChIKeyORZBKRODNOVDNZ-UHFFFAOYSA-N
XLogP5.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 55.16
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-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 16804454) is 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ORZBKRODNOVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3S2/c22-16-3-1-14(2-4-16)19-13-30-21(24-19)25-20(27)15-9-11-26(12-10-15)31(28,29)18-7-5-17(23)6-8-18/h1-8,13,15H,9-12H2,(H,24,25,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 496.44 g/mol, XLogP of 5.16, 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-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16804454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).