1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

C7H9F3N2O2S — CID 106213610

IUPAC1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2O2S/c1-5(4-11)15(13,14)12-6(2-3-6)7(8,9)10/h5,12H,2-3H2,1H3
InChIKeyOJGHLHNLMDHFMS-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.91
Rot. Bonds3

About 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (PubChem CID 106213610) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
PubChem CID106213610
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC Name1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2O2S/c1-5(4-11)15(13,14)12-6(2-3-6)7(8,9)10/h5,12H,2-3H2,1H3
InChIKeyOJGHLHNLMDHFMS-UHFFFAOYSA-N
XLogP0.91
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(2-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61128074
N-(2-cyanopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058902
N-(2-cyanobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059830
N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106212634
N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106212637
N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 106212638
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
CID 106213600
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106213601

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The IUPAC name of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (CID 106213610) is 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The canonical SMILES for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is CC(C#N)S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The InChIKey is OJGHLHNLMDHFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c1-5(4-11)15(13,14)12-6(2-3-6)7(8,9)10/h5,12H,2-3H2,1H3.
What are the key properties of 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide has a molecular weight of 242.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 106213610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).