3-fluoro-4-octoxybenzenesulfonamide

C14H22FNO3S — CID 43342399

IUPAC3-fluoro-4-octoxybenzenesulfonamide
SMILESCCCCCCCCOc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H22FNO3S/c1-2-3-4-5-6-7-10-19-14-9-8-12(11-13(14)15)20(16,17)18/h8-9,11H,2-7,10H2,1H3,(H2,16,17,18)
InChIKeyHSPGOWDXEWRYBP-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.21
Rot. Bonds9

About 3-fluoro-4-octoxybenzenesulfonamide

3-fluoro-4-octoxybenzenesulfonamide (PubChem CID 43342399) has the molecular formula C14H22FNO3S and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-fluoro-4-octoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-octoxybenzenesulfonamide
PubChem CID43342399
Molecular FormulaC14H22FNO3S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name3-fluoro-4-octoxybenzenesulfonamide
SMILESCCCCCCCCOc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H22FNO3S/c1-2-3-4-5-6-7-10-19-14-9-8-12(11-13(14)15)20(16,17)18/h8-9,11H,2-7,10H2,1H3,(H2,16,17,18)
InChIKeyHSPGOWDXEWRYBP-UHFFFAOYSA-N
XLogP3.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-octoxybenzenesulfonamide 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-bromo-4-nonoxybenzenesulfonamide
CID 43342292
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-dodecoxy-3-fluoroaniline
CID 63404209
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
tert-butyl 16-(2-fluoro-4-sulfamoylphenoxy)hexadecanoate
CID 170650743
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-octoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-4-octoxybenzenesulfonamide (CID 43342399) is 3-fluoro-4-octoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-octoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-4-octoxybenzenesulfonamide is CCCCCCCCOc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-octoxybenzenesulfonamide?
The InChIKey is HSPGOWDXEWRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3S/c1-2-3-4-5-6-7-10-19-14-9-8-12(11-13(14)15)20(16,17)18/h8-9,11H,2-7,10H2,1H3,(H2,16,17,18).
What are the key properties of 3-fluoro-4-octoxybenzenesulfonamide?
3-fluoro-4-octoxybenzenesulfonamide has a molecular weight of 303.40 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-octoxybenzenesulfonamide is sourced from PubChem (CID 43342399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).