4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C19H22N2O5S — CID 1270439

IUPAC4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)16-8-5-14(6-9-16)19(22)20-15-7-10-17-18(13-15)26-12-11-25-17/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyYUQHTZYHWXWUHC-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.74
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 1270439) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID1270439
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)16-8-5-14(6-9-16)19(22)20-15-7-10-17-18(13-15)26-12-11-25-17/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyYUQHTZYHWXWUHC-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 1270439) is 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is YUQHTZYHWXWUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(23,24)16-8-5-14(6-9-16)19(22)20-15-7-10-17-18(13-15)26-12-11-25-17/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 1270439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).