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

C15H14N2O5S — CID 27648630

IUPACN-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-16-23(19,20)12-5-2-10(3-6-12)15(18)17-11-4-7-13-14(8-11)22-9-21-13/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyHKJLCGDGYMSKFE-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.58
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide (PubChem CID 27648630) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
PubChem CID27648630
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c1-16-23(19,20)12-5-2-10(3-6-12)15(18)17-11-4-7-13-14(8-11)22-9-21-13/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyHKJLCGDGYMSKFE-UHFFFAOYSA-N
XLogP1.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
N-(1,3-benzodioxol-5-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2634707
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125
N-(1,3-benzodioxol-5-yl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1077889
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46420748
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide (CID 27648630) is N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide?
The InChIKey is HKJLCGDGYMSKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-16-23(19,20)12-5-2-10(3-6-12)15(18)17-11-4-7-13-14(8-11)22-9-21-13/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide has a molecular weight of 334.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 27648630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).