3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide

C12H18FNO5S — CID 104600565

IUPAC3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCOCCO)cc1F
InChIInChI=1S/C12H18FNO5S/c1-18-12-4-3-10(9-11(12)13)20(16,17)14-5-2-7-19-8-6-15/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyIRQJZBPFUQSRTP-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.51
Rot. Bonds9

About 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide

3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide (PubChem CID 104600565) has the molecular formula C12H18FNO5S and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
PubChem CID104600565
Molecular FormulaC12H18FNO5S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCOCCO)cc1F
InChIInChI=1S/C12H18FNO5S/c1-18-12-4-3-10(9-11(12)13)20(16,17)14-5-2-7-19-8-6-15/h3-4,9,14-15H,2,5-8H2,1H3
InChIKeyIRQJZBPFUQSRTP-UHFFFAOYSA-N
XLogP0.51
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide 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-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 90536544
3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758209
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-amino-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]-5-methylbenzenesulfonamide
CID 106308683
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide (CID 104600565) is 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCOCCO)cc1F.
What is the InChIKey of 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is IRQJZBPFUQSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO5S/c1-18-12-4-3-10(9-11(12)13)20(16,17)14-5-2-7-19-8-6-15/h3-4,9,14-15H,2,5-8H2,1H3.
What are the key properties of 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 307.34 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 104600565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).