5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide

C17H18N2O5S — CID 6458112

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1C
InChIInChI=1S/C17H18N2O5S/c1-11-3-5-13(10-14(11)17(20)18-2)25(21,22)19-12-4-6-15-16(9-12)24-8-7-23-15/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyVDEKOJLAJUMFRY-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.93
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide

5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 6458112) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID6458112
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1C
InChIInChI=1S/C17H18N2O5S/c1-11-3-5-13(10-14(11)17(20)18-2)25(21,22)19-12-4-6-15-16(9-12)24-8-7-23-15/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20)
InChIKeyVDEKOJLAJUMFRY-UHFFFAOYSA-N
XLogP1.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide (CID 6458112) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide is CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1C.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is VDEKOJLAJUMFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-3-5-13(10-14(11)17(20)18-2)25(21,22)19-12-4-6-15-16(9-12)24-8-7-23-15/h3-6,9-10,19H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide?
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 6458112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).