4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide

C16H17F2NO3S — CID 110758068

IUPAC4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1F
InChIInChI=1S/C16H17F2NO3S/c1-2-22-16-8-7-13(11-15(16)18)23(20,21)19-10-9-12-5-3-4-6-14(12)17/h3-8,11,19H,2,9-10H2,1H3
InChIKeyQBZQKPUWTBBPLO-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.88
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 110758068) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID110758068
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1F
InChIInChI=1S/C16H17F2NO3S/c1-2-22-16-8-7-13(11-15(16)18)23(20,21)19-10-9-12-5-3-4-6-14(12)17/h3-8,11,19H,2,9-10H2,1H3
InChIKeyQBZQKPUWTBBPLO-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
4-ethoxy-3-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42268240
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561
4-ethoxy-3-fluoro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389063
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 110758068) is 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is QBZQKPUWTBBPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-2-22-16-8-7-13(11-15(16)18)23(20,21)19-10-9-12-5-3-4-6-14(12)17/h3-8,11,19H,2,9-10H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110758068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).