N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide

C15H22N2O4S — CID 652828

IUPACN-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-9-17-22(19,20)14-7-5-12(6-8-14)15(18)16-11-13-4-3-10-21-13/h5-8,13,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyDXGXMAUDWQNDMV-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.28
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide

N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide (PubChem CID 652828) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide
PubChem CID652828
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-9-17-22(19,20)14-7-5-12(6-8-14)15(18)16-11-13-4-3-10-21-13/h5-8,13,17H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyDXGXMAUDWQNDMV-UHFFFAOYSA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide (CID 652828) is N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide?
The InChIKey is DXGXMAUDWQNDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-9-17-22(19,20)14-7-5-12(6-8-14)15(18)16-11-13-4-3-10-21-13/h5-8,13,17H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 652828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).