1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C15H15Cl2N3O3S2 — CID 2110724

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H15Cl2N3O3S2/c16-11-2-1-3-12(17)13(11)25(22,23)20-7-4-10(5-8-20)14(21)19-15-18-6-9-24-15/h1-3,6,9-10H,4-5,7-8H2,(H,18,19,21)
InChIKeyKEVJJUGLMXFTGZ-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 2110724) has the molecular formula C15H15Cl2N3O3S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID2110724
Molecular FormulaC15H15Cl2N3O3S2
Molecular Weight420.34 g/mol
Exact Mass418.99
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H15Cl2N3O3S2/c16-11-2-1-3-12(17)13(11)25(22,23)20-7-4-10(5-8-20)14(21)19-15-18-6-9-24-15/h1-3,6,9-10H,4-5,7-8H2,(H,18,19,21)
InChIKeyKEVJJUGLMXFTGZ-UHFFFAOYSA-N
XLogP3.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 2110724) is 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is KEVJJUGLMXFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S2/c16-11-2-1-3-12(17)13(11)25(22,23)20-7-4-10(5-8-20)14(21)19-15-18-6-9-24-15/h1-3,6,9-10H,4-5,7-8H2,(H,18,19,21).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2110724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).