2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide

C17H18ClN3O3S — CID 1107112

IUPAC2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H18ClN3O3S/c18-16-7-6-14(25(23,24)21-9-2-1-3-10-21)11-15(16)17(22)20-13-5-4-8-19-12-13/h4-8,11-12H,1-3,9-10H2,(H,20,22)
InChIKeyQZKOMPZBWUSCOK-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide

2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide (PubChem CID 1107112) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
PubChem CID1107112
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H18ClN3O3S/c18-16-7-6-14(25(23,24)21-9-2-1-3-10-21)11-15(16)17(22)20-13-5-4-8-19-12-13/h4-8,11-12H,1-3,9-10H2,(H,20,22)
InChIKeyQZKOMPZBWUSCOK-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 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide (CID 1107112) is 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
The InChIKey is QZKOMPZBWUSCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-16-7-6-14(25(23,24)21-9-2-1-3-10-21)11-15(16)17(22)20-13-5-4-8-19-12-13/h4-8,11-12H,1-3,9-10H2,(H,20,22).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide?
2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide 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 2-chloro-5-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1107112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).