2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide

C17H17Cl2N3O3S — CID 1355914

IUPAC2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O3S/c18-12-4-7-16(20-11-12)21-17(23)14-10-13(5-6-15(14)19)26(24,25)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,20,21,23)
InChIKeyDXSZRFFITZWGEN-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 1355914) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID1355914
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O3S/c18-12-4-7-16(20-11-12)21-17(23)14-10-13(5-6-15(14)19)26(24,25)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,20,21,23)
InChIKeyDXSZRFFITZWGEN-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide (CID 1355914) is 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DXSZRFFITZWGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c18-12-4-7-16(20-11-12)21-17(23)14-10-13(5-6-15(14)19)26(24,25)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,20,21,23).
What are the key properties of 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 414.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1355914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).