N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide

C17H24N2O4S — CID 2872881

IUPACN-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O4S/c20-17(18-13-15-5-4-12-23-15)14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h6-9,15H,1-5,10-13H2,(H,18,20)
InChIKeyDXUOIJRXGQKEIW-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.77
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide

N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2872881) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2872881
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O4S/c20-17(18-13-15-5-4-12-23-15)14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h6-9,15H,1-5,10-13H2,(H,18,20)
InChIKeyDXUOIJRXGQKEIW-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide (CID 2872881) is N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DXUOIJRXGQKEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-13-15-5-4-12-23-15)14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h6-9,15H,1-5,10-13H2,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2872881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).