1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide

C17H17Cl2N3O3S — CID 24982700

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O3S/c18-14-2-1-3-15(19)16(14)26(24,25)22-10-6-12(7-11-22)17(23)21-13-4-8-20-9-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,20,21,23)
InChIKeyDKLZALSAJUEKFA-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 24982700) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID24982700
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O3S/c18-14-2-1-3-15(19)16(14)26(24,25)22-10-6-12(7-11-22)17(23)21-13-4-8-20-9-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,20,21,23)
InChIKeyDKLZALSAJUEKFA-UHFFFAOYSA-N
XLogP3.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide (CID 24982700) is 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is DKLZALSAJUEKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c18-14-2-1-3-15(19)16(14)26(24,25)22-10-6-12(7-11-22)17(23)21-13-4-8-20-9-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,20,21,23).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 24982700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).