N-(1,3-benzodioxol-5-yl)ethanesulfonamide

C9H11NO4S — CID 1225729

IUPACN-(1,3-benzodioxol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C9H11NO4S/c1-2-15(11,12)10-7-3-4-8-9(5-7)14-6-13-8/h3-5,10H,2,6H2,1H3
InChIKeyKWDLWVODBXJFLJ-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.18
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)ethanesulfonamide

N-(1,3-benzodioxol-5-yl)ethanesulfonamide (PubChem CID 1225729) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)ethanesulfonamide
PubChem CID1225729
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC NameN-(1,3-benzodioxol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C9H11NO4S/c1-2-15(11,12)10-7-3-4-8-9(5-7)14-6-13-8/h3-5,10H,2,6H2,1H3
InChIKeyKWDLWVODBXJFLJ-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Benzodioxol-5-amine
CID 84310
Spiro(1,3-dioxaindane-2,1'-cyclohexane)-6-amine
CID 723336
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
CID 2384847
N-1,3-benzodioxol-5-yl-5-fluoro-2-methoxybenzenesulfonamide
CID 1508539
5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride
CID 2927039
N-(1,3-benzodioxol-5-yl)-4-methoxybenzenesulfonamide
CID 868942
N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 2991852
N-1,3-benzodioxol-5-ylguanidine
CID 18950026
Spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-amine
CID 723950
2,2-dimethyl-2H-1,3-benzodioxol-5-amine
CID 233317
1,3-Benzodioxole, 5-isothiocyanato-
CID 123593

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)ethanesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)ethanesulfonamide (CID 1225729) is N-(1,3-benzodioxol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)ethanesulfonamide?
The InChIKey is KWDLWVODBXJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-15(11,12)10-7-3-4-8-9(5-7)14-6-13-8/h3-5,10H,2,6H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)ethanesulfonamide?
N-(1,3-benzodioxol-5-yl)ethanesulfonamide has a molecular weight of 229.26 g/mol, XLogP of 1.18, 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-yl)ethanesulfonamide is sourced from PubChem (CID 1225729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).