N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H16N2O5S — CID 18272685

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2=COCCO2)cc1
InChIInChI=1S/C13H16N2O5S/c14-21(17,18)11-3-1-10(2-4-11)5-6-15-13(16)12-9-19-7-8-20-12/h1-4,9H,5-8H2,(H,15,16)(H2,14,17,18)
InChIKeyJSXIMGZHWUGKJD-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.12
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18272685) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18272685
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2=COCCO2)cc1
InChIInChI=1S/C13H16N2O5S/c14-21(17,18)11-3-1-10(2-4-11)5-6-15-13(16)12-9-19-7-8-20-12/h1-4,9H,5-8H2,(H,15,16)(H2,14,17,18)
InChIKeyJSXIMGZHWUGKJD-UHFFFAOYSA-N
XLogP-0.12
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18272685) is N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2=COCCO2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is JSXIMGZHWUGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c14-21(17,18)11-3-1-10(2-4-11)5-6-15-13(16)12-9-19-7-8-20-12/h1-4,9H,5-8H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 312.35 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18272685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).