1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C16H18ClN3O3S2 — CID 8919434

IUPAC1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C16H18ClN3O3S2/c1-11-10-18-16(24-11)19-15(21)12-6-8-20(9-7-12)25(22,23)14-4-2-13(17)3-5-14/h2-5,10,12H,6-9H2,1H3,(H,18,19,21)
InChIKeyLNPJVABEMFCSGY-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 8919434) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID8919434
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C16H18ClN3O3S2/c1-11-10-18-16(24-11)19-15(21)12-6-8-20(9-7-12)25(22,23)14-4-2-13(17)3-5-14/h2-5,10,12H,6-9H2,1H3,(H,18,19,21)
InChIKeyLNPJVABEMFCSGY-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 8919434) is 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LNPJVABEMFCSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c1-11-10-18-16(24-11)19-15(21)12-6-8-20(9-7-12)25(22,23)14-4-2-13(17)3-5-14/h2-5,10,12H,6-9H2,1H3,(H,18,19,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 399.93 g/mol, XLogP of 3.14, 4 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-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 8919434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).