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

C11H9F3N2O2S — CID 112556198

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)8-1-4-10(7(5-8)6-15)16-19(17,18)9-2-3-9/h1,4-5,9,16H,2-3H2
InChIKeyIKMJPHYFRNLEEI-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.48
Rot. Bonds3

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

N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide (PubChem CID 112556198) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
PubChem CID112556198
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)C1CC1
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)8-1-4-10(7(5-8)6-15)16-19(17,18)9-2-3-9/h1,4-5,9,16H,2-3H2
InChIKeyIKMJPHYFRNLEEI-UHFFFAOYSA-N
XLogP2.48
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
1-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]methanesulfonamide
CID 112556251
N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 112556194
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide
CID 68619529
3-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911470
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 115911312
N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
CID 81198712
N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide
CID 59313645
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-[2-(cyclopropylamino)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 55100935

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide (CID 112556198) is N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide is N#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
The InChIKey is IKMJPHYFRNLEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c12-11(13,14)8-1-4-10(7(5-8)6-15)16-19(17,18)9-2-3-9/h1,4-5,9,16H,2-3H2.
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide has a molecular weight of 290.27 g/mol, XLogP of 2.48, 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]cyclopropanesulfonamide is sourced from PubChem (CID 112556198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).