1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C9H7F3N2O2S — CID 54190935

IUPAC1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESN#CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)7-2-1-3-8(6-7)14-17(15,16)5-4-13/h1-3,6,14H,5H2
InChIKeyPILPCGNDHCVJHZ-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.97
Rot. Bonds3

About 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 54190935) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID54190935
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESN#CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)7-2-1-3-8(6-7)14-17(15,16)5-4-13/h1-3,6,14H,5H2
InChIKeyPILPCGNDHCVJHZ-UHFFFAOYSA-N
XLogP1.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 54190935) is 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is N#CCS(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is PILPCGNDHCVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c10-9(11,12)7-2-1-3-8(6-7)14-17(15,16)5-4-13/h1-3,6,14H,5H2.
What are the key properties of 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 264.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 54190935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).