4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide

C16H17F2NO3S — CID 60602045

IUPAC4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
SMILESCN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-19(23(20,21)16-9-5-14(18)6-10-16)11-2-12-22-15-7-3-13(17)4-8-15/h3-10H,2,11-12H2,1H3
InChIKeyHSLUIORYSAXSBT-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.05
Rot. Bonds7

About 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide

4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide (PubChem CID 60602045) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
PubChem CID60602045
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
SMILESCN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-19(23(20,21)16-9-5-14(18)6-10-16)11-2-12-22-15-7-3-13(17)4-8-15/h3-10H,2,11-12H2,1H3
InChIKeyHSLUIORYSAXSBT-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
CID 39967068
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365896
methyl 4-[(4-ethoxyphenyl)sulfonyl-methylamino]butanoate
CID 60715335
N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787894

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide (CID 60602045) is 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide is CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide?
The InChIKey is HSLUIORYSAXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-19(23(20,21)16-9-5-14(18)6-10-16)11-2-12-22-15-7-3-13(17)4-8-15/h3-10H,2,11-12H2,1H3.
What are the key properties of 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60602045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).