N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide

C18H20N2O5S — CID 2582581

IUPACN-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-20(4-2)26(22,23)15-8-5-13(6-9-15)18(21)19-14-7-10-16-17(11-14)25-12-24-16/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyMYMURKWPRMTOJB-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.70
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide (PubChem CID 2582581) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
PubChem CID2582581
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-20(4-2)26(22,23)15-8-5-13(6-9-15)18(21)19-14-7-10-16-17(11-14)25-12-24-16/h5-11H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyMYMURKWPRMTOJB-UHFFFAOYSA-N
XLogP2.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
1,3-benzodioxol-5-yl 4-(diethylsulfamoyl)benzoate
CID 2669371
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide (CID 2582581) is N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is MYMURKWPRMTOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-20(4-2)26(22,23)15-8-5-13(6-9-15)18(21)19-14-7-10-16-17(11-14)25-12-24-16/h5-11H,3-4,12H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 2582581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).