4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide

C15H13F4NO3S — CID 28560515

IUPAC4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F4NO3S/c1-2-23-11-4-6-12(7-5-11)24(21,22)20-10-3-8-14(16)13(9-10)15(17,18)19/h3-9,20H,2H2,1H3
InChIKeyYGKYVHJRLSQJOQ-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.04
Rot. Bonds5

About 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide

4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 28560515) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID28560515
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC Name4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F4NO3S/c1-2-23-11-4-6-12(7-5-11)24(21,22)20-10-3-8-14(16)13(9-10)15(17,18)19/h3-9,20H,2H2,1H3
InChIKeyYGKYVHJRLSQJOQ-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 28549435
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 28560515) is 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YGKYVHJRLSQJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c1-2-23-11-4-6-12(7-5-11)24(21,22)20-10-3-8-14(16)13(9-10)15(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 28560515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).