N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen

C21H20N2O5S — CID 170976899

IUPACN-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2.[H][H]
InChIInChI=1S/C21H18N2O5S.H2/c1-23(16-7-3-2-4-8-16)29(25,26)20-10-6-5-9-17(20)21(24)22-15-11-12-18-19(13-15)28-14-27-18;/h2-13H,14H2,1H3,(H,22,24);1H
InChIKeyXRCJOVGJEOJTQE-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.74
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen

N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen (PubChem CID 170976899) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen
PubChem CID170976899
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2.[H][H]
InChIInChI=1S/C21H18N2O5S.H2/c1-23(16-7-3-2-4-8-16)29(25,26)20-10-6-5-9-17(20)21(24)22-15-11-12-18-19(13-15)28-14-27-18;/h2-13H,14H2,1H3,(H,22,24);1H
InChIKeyXRCJOVGJEOJTQE-UHFFFAOYSA-N
XLogP3.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
N-(1,3-benzodioxol-5-yl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967602
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(1,3-benzodioxol-5-yl)-3-(N-methylsulfonylanilino)propanamide
CID 113141566
N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2477773

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen (CID 170976899) is N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2.[H][H].
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen?
The InChIKey is XRCJOVGJEOJTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S.H2/c1-23(16-7-3-2-4-8-16)29(25,26)20-10-6-5-9-17(20)21(24)22-15-11-12-18-19(13-15)28-14-27-18;/h2-13H,14H2,1H3,(H,22,24);1H.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen?
N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen has a molecular weight of 412.47 g/mol, XLogP of 3.74, 5 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)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen is sourced from PubChem (CID 170976899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).