1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C18H19Cl2N3O3S — CID 2985872

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H19Cl2N3O3S/c19-15-3-4-16(20)17(10-15)27(25,26)23-9-1-2-14(12-23)18(24)22-11-13-5-7-21-8-6-13/h3-8,10,14H,1-2,9,11-12H2,(H,22,24)
InChIKeyKHXJMPWAFLDRHK-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.11
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 2985872) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID2985872
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H19Cl2N3O3S/c19-15-3-4-16(20)17(10-15)27(25,26)23-9-1-2-14(12-23)18(24)22-11-13-5-7-21-8-6-13/h3-8,10,14H,1-2,9,11-12H2,(H,22,24)
InChIKeyKHXJMPWAFLDRHK-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 2985872) is 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncc1)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KHXJMPWAFLDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c19-15-3-4-16(20)17(10-15)27(25,26)23-9-1-2-14(12-23)18(24)22-11-13-5-7-21-8-6-13/h3-8,10,14H,1-2,9,11-12H2,(H,22,24).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 428.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2985872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).