3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide

C9H8F5NO2S — CID 143940241

IUPAC3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(F)(F)c1cc(C(F)(F)F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H8F5NO2S/c1-8(10,11)5-2-6(9(12,13)14)4-7(3-5)18(15,16)17/h2-4H,1H3,(H2,15,16,17)
InChIKeyPRDSPKKPDAPJIS-UHFFFAOYSA-N
MW289.23 g/mol
LogP2.46
Rot. Bonds2

About 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide

3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 143940241) has the molecular formula C9H8F5NO2S and a molecular weight of 289.23 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID143940241
Molecular FormulaC9H8F5NO2S
Molecular Weight289.23 g/mol
Exact Mass289.02
IUPAC Name3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCC(F)(F)c1cc(C(F)(F)F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H8F5NO2S/c1-8(10,11)5-2-6(9(12,13)14)4-7(3-5)18(15,16)17/h2-4H,1H3,(H2,15,16,17)
InChIKeyPRDSPKKPDAPJIS-UHFFFAOYSA-N
XLogP2.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-5-(trifluoromethyl)benzenesulfonamide
CID 134627197
CID 70262336
CID 70262336
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide
CID 172578620
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
1-(1-fluoroethylsulfonyl)-3,5-bis(trifluoromethyl)benzene
CID 146412406
[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]methanamine
CID 112594413
2-ethyl-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 118998718
2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25015015
p-t-Butylbenzenesulfonamide potassium
CID 66748434
1-(1,1-difluoroethyl)-3-isocyanato-5-(trifluoromethyl)benzene
CID 162577062
3-tert-butyl-5-formylbenzenesulfonamide
CID 54053321

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 143940241) is 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide is CC(F)(F)c1cc(C(F)(F)F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PRDSPKKPDAPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2S/c1-8(10,11)5-2-6(9(12,13)14)4-7(3-5)18(15,16)17/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide?
3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 289.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143940241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).