N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide

C17H18ClN3O3S — CID 1124159

IUPACN-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H18ClN3O3S/c18-14-7-8-16(19-12-14)20-17(22)13-5-4-6-15(11-13)25(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,19,20,22)
InChIKeyXWQXWOMSRCPCJM-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.16
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide

N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1124159) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1124159
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H18ClN3O3S/c18-14-7-8-16(19-12-14)20-17(22)13-5-4-6-15(11-13)25(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,19,20,22)
InChIKeyXWQXWOMSRCPCJM-UHFFFAOYSA-N
XLogP3.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1124159) is N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)cn1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XWQXWOMSRCPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-14-7-8-16(19-12-14)20-17(22)13-5-4-6-15(11-13)25(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 379.87 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1124159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).