N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide

C21H18N2O5S — CID 2704583

IUPACN-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H18N2O5S/c1-23(17-5-3-2-4-6-17)29(25,26)18-10-7-15(8-11-18)21(24)22-16-9-12-19-20(13-16)28-14-27-19/h2-13H,14H2,1H3,(H,22,24)
InChIKeyWRAKMAJSFCGTLH-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.49
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2704583) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2704583
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H18N2O5S/c1-23(17-5-3-2-4-6-17)29(25,26)18-10-7-15(8-11-18)21(24)22-16-9-12-19-20(13-16)28-14-27-19/h2-13H,14H2,1H3,(H,22,24)
InChIKeyWRAKMAJSFCGTLH-UHFFFAOYSA-N
XLogP3.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2477773
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(1,3-benzodioxol-5-yl)-2-[methyl(phenyl)sulfamoyl]benzamide;molecular hydrogen
CID 170976899
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2704583) is N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is WRAKMAJSFCGTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-23(17-5-3-2-4-6-17)29(25,26)18-10-7-15(8-11-18)21(24)22-16-9-12-19-20(13-16)28-14-27-19/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 410.45 g/mol, XLogP of 3.49, 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)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2704583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).