3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide

C17H18FNO5S — CID 16884247

IUPAC3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO5S/c18-14-4-2-13(3-5-14)11-19-25(20,21)9-1-8-22-15-6-7-16-17(10-15)24-12-23-16/h2-7,10,19H,1,8-9,11-12H2
InChIKeyZWFUMPNJPVFNRF-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.44
Rot. Bonds8

About 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide

3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide (PubChem CID 16884247) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
PubChem CID16884247
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccc(F)cc1
InChIInChI=1S/C17H18FNO5S/c18-14-4-2-13(3-5-14)11-19-25(20,21)9-1-8-22-15-6-7-16-17(10-15)24-12-23-16/h2-7,10,19H,1,8-9,11-12H2
InChIKeyZWFUMPNJPVFNRF-UHFFFAOYSA-N
XLogP2.44
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yloxy)-N-ethylpropane-1-sulfonamide
CID 16884230
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 112975116
3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide
CID 16884275
3-(1,3-benzodioxol-5-yloxy)propane-1-sulfonate
CID 20593635
3-(1,3-benzodioxol-5-yloxy)-N-[(2S)-butan-2-yl]propane-1-sulfonamide
CID 25280640
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
CID 16884354
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-1-(3,5-difluorophenyl)methanesulfonamide
CID 90576353
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)propanoic acid
CID 28514143
3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 16884291
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-cyclopropyl-1-[(4-fluorophenyl)methyl]urea
CID 52658460

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide (CID 16884247) is 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide is O=S(=O)(CCCOc1ccc2c(c1)OCO2)NCc1ccc(F)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide?
The InChIKey is ZWFUMPNJPVFNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c18-14-4-2-13(3-5-14)11-19-25(20,21)9-1-8-22-15-6-7-16-17(10-15)24-12-23-16/h2-7,10,19H,1,8-9,11-12H2.
What are the key properties of 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide?
3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide has a molecular weight of 367.40 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 16884247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).