N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide

C9H11NO4S — CID 591044

IUPACN-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H11NO4S/c1-15(11,12)10-5-7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6H2,1H3
InChIKeyJAOTTZZWODVWDG-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.46
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide

N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide (PubChem CID 591044) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
PubChem CID591044
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C9H11NO4S/c1-15(11,12)10-5-7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6H2,1H3
InChIKeyJAOTTZZWODVWDG-UHFFFAOYSA-N
XLogP0.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43144936
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl]methanesulfonamide
CID 47395008
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpropan-2-amine
CID 64631127
1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)-4,6-dimethoxybenzene-1,3-disulfonamide
CID 43845502
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)propanoic acid
CID 28514143
N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]benzenesulfonamide
CID 171432418
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39791888
N-(1,3-benzodioxol-5-ylmethyl)-4-butylbenzenesulfonamide
CID 19680671

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide (CID 591044) is N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide?
The InChIKey is JAOTTZZWODVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-15(11,12)10-5-7-2-3-8-9(4-7)14-6-13-8/h2-4,10H,5-6H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide has a molecular weight of 229.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 591044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).