2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C11H14N2O5S — CID 54253789

IUPAC2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCCNS(=O)(=O)C1COc2c(cccc2C(N)=O)O1
InChIInChI=1S/C11H14N2O5S/c1-2-13-19(15,16)9-6-17-10-7(11(12)14)4-3-5-8(10)18-9/h3-5,9,13H,2,6H2,1H3,(H2,12,14)
InChIKeyQYPNERXMXXHMBM-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.18
Rot. Bonds4

About 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 54253789) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID54253789
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCCNS(=O)(=O)C1COc2c(cccc2C(N)=O)O1
InChIInChI=1S/C11H14N2O5S/c1-2-13-19(15,16)9-6-17-10-7(11(12)14)4-3-5-8(10)18-9/h3-5,9,13H,2,6H2,1H3,(H2,12,14)
InChIKeyQYPNERXMXXHMBM-UHFFFAOYSA-N
XLogP-0.18
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 54253789) is 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CCNS(=O)(=O)C1COc2c(cccc2C(N)=O)O1.
What is the InChIKey of 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is QYPNERXMXXHMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-13-19(15,16)9-6-17-10-7(11(12)14)4-3-5-8(10)18-9/h3-5,9,13H,2,6H2,1H3,(H2,12,14).
What are the key properties of 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 286.31 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 54253789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).