1,1,1-trifluoro-N-phenylmethanesulfonimidic acid

C7H6F3NO2S — CID 14986693

IUPAC1,1,1-trifluoro-N-phenylmethanesulfonimidic acid
SMILESO=S(O)(=Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5H,(H,11,12,13)
InChIKeyRCTANZYGFHEBQM-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.78
Rot. Bonds1

About 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid

1,1,1-trifluoro-N-phenylmethanesulfonimidic acid (PubChem CID 14986693) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid.

Molecular Properties

Compound Name1,1,1-trifluoro-N-phenylmethanesulfonimidic acid
PubChem CID14986693
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name1,1,1-trifluoro-N-phenylmethanesulfonimidic acid
SMILESO=S(O)(=Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5H,(H,11,12,13)
InChIKeyRCTANZYGFHEBQM-UHFFFAOYSA-N
XLogP2.78
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid?
The IUPAC name of 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid (CID 14986693) is 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid.
What is the SMILES notation for 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid?
The canonical SMILES for 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid is O=S(O)(=Nc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid?
The InChIKey is RCTANZYGFHEBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5H,(H,11,12,13).
What are the key properties of 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid?
1,1,1-trifluoro-N-phenylmethanesulfonimidic acid has a molecular weight of 225.19 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-phenylmethanesulfonimidic acid is sourced from PubChem (CID 14986693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).