N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide

C18H20N2O5S — CID 9313872

IUPACN-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-12(2)20-26(22,23)15-7-4-13(5-8-15)18(21)19-14-6-9-16-17(10-14)25-11-24-16/h4-10,12,20H,3,11H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyJEISZDYZACXVIZ-GFCCVEGCSA-N
MW376.43 g/mol
LogP2.74
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide (PubChem CID 9313872) 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-[[(2R)-butan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
PubChem CID9313872
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-12(2)20-26(22,23)15-7-4-13(5-8-15)18(21)19-14-6-9-16-17(10-14)25-11-24-16/h4-10,12,20H,3,11H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyJEISZDYZACXVIZ-GFCCVEGCSA-N
XLogP2.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-butan-2-yl]sulfamoyl]benzamide
CID 9314645
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109044179
N-(1,3-benzodioxol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258065
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide (CID 9313872) is N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide?
The InChIKey is JEISZDYZACXVIZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-12(2)20-26(22,23)15-7-4-13(5-8-15)18(21)19-14-6-9-16-17(10-14)25-11-24-16/h4-10,12,20H,3,11H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.74, 6 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-[[(2R)-butan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 9313872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).