N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C11H14N2O5S — CID 65373686

IUPACN,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCN(C)C(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2
InChIInChI=1S/C11H14N2O5S/c1-13(2)11(14)8-5-7(19(12,15)16)6-9-10(8)18-4-3-17-9/h5-6H,3-4H2,1-2H3,(H2,12,15,16)
InChIKeyOQBSQHGGRFQMFH-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.19
Rot. Bonds2

About N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 65373686) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID65373686
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC NameN,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCN(C)C(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2
InChIInChI=1S/C11H14N2O5S/c1-13(2)11(14)8-5-7(19(12,15)16)6-9-10(8)18-4-3-17-9/h5-6H,3-4H2,1-2H3,(H2,12,15,16)
InChIKeyOQBSQHGGRFQMFH-UHFFFAOYSA-N
XLogP-0.19
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 65373686) is N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is CN(C)C(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2.
What is the InChIKey of N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is OQBSQHGGRFQMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-13(2)11(14)8-5-7(19(12,15)16)6-9-10(8)18-4-3-17-9/h5-6H,3-4H2,1-2H3,(H2,12,15,16).
What are the key properties of N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 286.31 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 65373686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).