4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide

C10H9F6NO2S — CID 118848904

IUPAC4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H9F6NO2S/c1-2-5-3-4-6(20(17,18)19)8(10(14,15)16)7(5)9(11,12)13/h3-4H,2H2,1H3,(H2,17,18,19)
InChIKeyRZSOQKGQSWGGOI-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.93
Rot. Bonds2

About 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide

4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 118848904) has the molecular formula C10H9F6NO2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide
PubChem CID118848904
Molecular FormulaC10H9F6NO2S
Molecular Weight321.24 g/mol
Exact Mass321.03
IUPAC Name4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H9F6NO2S/c1-2-5-3-4-6(20(17,18)19)8(10(14,15)16)7(5)9(11,12)13/h3-4H,2H2,1H3,(H2,17,18,19)
InChIKeyRZSOQKGQSWGGOI-UHFFFAOYSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
1-ethyl-2,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 135743105
4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424
4-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119023089
2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 171000749
3-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 69122814
2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 118998718
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
4-amino-2-ethyl-3-fluorobenzenesulfonamide
CID 174775663

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide (CID 118848904) is 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide is CCc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is RZSOQKGQSWGGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO2S/c1-2-5-3-4-6(20(17,18)19)8(10(14,15)16)7(5)9(11,12)13/h3-4H,2H2,1H3,(H2,17,18,19).
What are the key properties of 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide?
4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118848904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).