N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide

C10H9F3N2O2S — CID 112556193

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C10H9F3N2O2S/c1-2-18(16,17)15-9-4-3-8(10(11,12)13)5-7(9)6-14/h3-5,15H,2H2,1H3
InChIKeyJFLUBEJJXVFEDN-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.34
Rot. Bonds3

About N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide

N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 112556193) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID112556193
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C10H9F3N2O2S/c1-2-18(16,17)15-9-4-3-8(10(11,12)13)5-7(9)6-14/h3-5,15H,2H2,1H3
InChIKeyJFLUBEJJXVFEDN-UHFFFAOYSA-N
XLogP2.34
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]methanesulfonamide
CID 112556251
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
3-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911470
N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 112556194
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
2-(3-ethylsulfonylpropylamino)-5-(trifluoromethyl)benzonitrile
CID 115911140
2-(2-propylsulfonylethylamino)-5-(trifluoromethyl)benzonitrile
CID 106724278
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-(butylamino)-5-(trifluoromethyl)benzonitrile
CID 43153532
N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 115911312

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide (CID 112556193) is N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is JFLUBEJJXVFEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-2-18(16,17)15-9-4-3-8(10(11,12)13)5-7(9)6-14/h3-5,15H,2H2,1H3.
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 278.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 112556193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).