N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide

C14H20N2O4S — CID 18582819

IUPACN-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H20N2O4S/c17-14(12-5-2-1-3-6-12)15-8-10-21(18,19)16-11-13-7-4-9-20-13/h1-3,5-6,13,16H,4,7-11H2,(H,15,17)
InChIKeyMSLKKPWBIVHLOK-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.51
Rot. Bonds7

About N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide

N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide (PubChem CID 18582819) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide
PubChem CID18582819
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H20N2O4S/c17-14(12-5-2-1-3-6-12)15-8-10-21(18,19)16-11-13-7-4-9-20-13/h1-3,5-6,13,16H,4,7-11H2,(H,15,17)
InChIKeyMSLKKPWBIVHLOK-UHFFFAOYSA-N
XLogP0.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide?
The IUPAC name of N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide (CID 18582819) is N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide is O=C(NCCS(=O)(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide?
The InChIKey is MSLKKPWBIVHLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(12-5-2-1-3-6-12)15-8-10-21(18,19)16-11-13-7-4-9-20-13/h1-3,5-6,13,16H,4,7-11H2,(H,15,17).
What are the key properties of N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide?
N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 18582819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).