1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide

C10H9F3N2O2S — CID 55129271

IUPAC1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)9-4-2-1-3-8(9)7-15-18(16,17)6-5-14/h1-4,15H,6-7H2
InChIKeyLFDCVWUYZRKYHI-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.65
Rot. Bonds4

About 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide

1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide (PubChem CID 55129271) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide
PubChem CID55129271
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)9-4-2-1-3-8(9)7-15-18(16,17)6-5-14/h1-4,15H,6-7H2
InChIKeyLFDCVWUYZRKYHI-UHFFFAOYSA-N
XLogP1.65
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide (CID 55129271) is 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide is N#CCS(=O)(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
The InChIKey is LFDCVWUYZRKYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c11-10(12,13)9-4-2-1-3-8(9)7-15-18(16,17)6-5-14/h1-4,15H,6-7H2.
What are the key properties of 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide?
1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide has a molecular weight of 278.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[2-(trifluoromethyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 55129271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).