2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide

C10H9F6NO2S — CID 118998718

IUPAC2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
SMILESCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C10H9F6NO2S/c1-2-5-3-6(9(11,12)13)4-7(10(14,15)16)8(5)20(17,18)19/h3-4H,2H2,1H3,(H2,17,18,19)
InChIKeyIOJNNWOUTFXQGE-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.93
Rot. Bonds2

About 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide

2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 118998718) has the molecular formula C10H9F6NO2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
PubChem CID118998718
Molecular FormulaC10H9F6NO2S
Molecular Weight321.24 g/mol
Exact Mass321.03
IUPAC Name2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
SMILESCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1S(N)(=O)=O
InChIInChI=1S/C10H9F6NO2S/c1-2-5-3-6(9(11,12)13)4-7(10(14,15)16)8(5)20(17,18)19/h3-4H,2H2,1H3,(H2,17,18,19)
InChIKeyIOJNNWOUTFXQGE-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

2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 119003736
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
2,4,6-tris(trifluoromethyl)benzenesulfonate
CID 22057315
1-(chloromethyl)-2-ethyl-3,5-bis(trifluoromethyl)benzene
CID 135742809
3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 143940241
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 134638251
4-ethyl-2,3-bis(trifluoromethyl)benzenesulfonamide
CID 118848904
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
[2,4-bis(trifluoromethyl)phenyl]methanesulfonyl chloride
CID 87086409
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide (CID 118998718) is 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide is CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1S(N)(=O)=O.
What is the InChIKey of 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is IOJNNWOUTFXQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO2S/c1-2-5-3-6(9(11,12)13)4-7(10(14,15)16)8(5)20(17,18)19/h3-4H,2H2,1H3,(H2,17,18,19).
What are the key properties of 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide?
2-ethyl-4,6-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 2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118998718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).