3-ethyl-4-(trifluoromethoxy)benzenesulfonamide

C9H10F3NO3S — CID 170999141

IUPAC3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1cc(S(N)(=O)=O)ccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-2-6-5-7(17(13,14)15)3-4-8(6)16-9(10,11)12/h3-5H,2H2,1H3,(H2,13,14,15)
InChIKeyPGPDSJSUXYYSTN-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.79
Rot. Bonds3

About 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide

3-ethyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170999141) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID170999141
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1cc(S(N)(=O)=O)ccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c1-2-6-5-7(17(13,14)15)3-4-8(6)16-9(10,11)12/h3-5H,2H2,1H3,(H2,13,14,15)
InChIKeyPGPDSJSUXYYSTN-UHFFFAOYSA-N
XLogP1.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
CID 170999351
3-(aminomethyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 67169343
3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
CID 56578932
5-methylsulfonyl-2-(trifluoromethoxy)phenol
CID 168964303
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
3-[[(5-ethoxy-7-methoxyquinazolin-4-yl)amino]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 67168835
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170743723
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
CID 143781456
(E)-3-[3-ethyl-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170999094
3-(2-aminopropyl)-4-methoxybenzenesulfonamide
CID 67643235

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide (CID 170999141) is 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide is CCc1cc(S(N)(=O)=O)ccc1OC(F)(F)F.
What is the InChIKey of 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PGPDSJSUXYYSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-2-6-5-7(17(13,14)15)3-4-8(6)16-9(10,11)12/h3-5H,2H2,1H3,(H2,13,14,15).
What are the key properties of 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide?
3-ethyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170999141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).