N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

C16H16N2O6S — CID 9191609

IUPACN-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H16N2O6S/c1-18(22-2)25(20,21)13-5-3-4-11(8-13)16(19)17-12-6-7-14-15(9-12)24-10-23-14/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyVGBHWBURJSVBNR-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.85
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 9191609) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID9191609
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H16N2O6S/c1-18(22-2)25(20,21)13-5-3-4-11(8-13)16(19)17-12-6-7-14-15(9-12)24-10-23-14/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyVGBHWBURJSVBNR-UHFFFAOYSA-N
XLogP1.85
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905906
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 34276394
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55693616
tert-butyl N-[2-fluoro-5-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]phenyl]carbamate
CID 55969313
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
3-[methoxy(methyl)sulfamoyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534346

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 9191609) is N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is VGBHWBURJSVBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-18(22-2)25(20,21)13-5-3-4-11(8-13)16(19)17-12-6-7-14-15(9-12)24-10-23-14/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 9191609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).