(E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide

C17H17NO5S — CID 1487538

IUPAC(E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H17NO5S/c1-21-15-4-2-3-14(9-15)11-18-24(19,20)8-7-13-5-6-16-17(10-13)23-12-22-16/h2-10,18H,11-12H2,1H3/b8-7+
InChIKeyFFLHANPOTKFFKB-BQYQJAHWSA-N
MW347.39 g/mol
LogP2.51
Rot. Bonds6

About (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide

(E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide (PubChem CID 1487538) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
PubChem CID1487538
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name(E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H17NO5S/c1-21-15-4-2-3-14(9-15)11-18-24(19,20)8-7-13-5-6-16-17(10-13)23-12-22-16/h2-10,18H,11-12H2,1H3/b8-7+
InChIKeyFFLHANPOTKFFKB-BQYQJAHWSA-N
XLogP2.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide (CID 1487538) is (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide is COc1cccc(CNS(=O)(=O)/C=C/c2ccc3c(c2)OCO3)c1.
What is the InChIKey of (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
The InChIKey is FFLHANPOTKFFKB-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-21-15-4-2-3-14(9-15)11-18-24(19,20)8-7-13-5-6-16-17(10-13)23-12-22-16/h2-10,18H,11-12H2,1H3/b8-7+.
What are the key properties of (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide?
(E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide has a molecular weight of 347.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethenesulfonamide is sourced from PubChem (CID 1487538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).