6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

C7H7F4NO2S — CID 121293272

IUPAC6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1(F)C(F)(F)F
InChIInChI=1S/C7H7F4NO2S/c8-6(7(9,10)11)4-2-1-3-5(6)15(12,13)14/h1-5H,(H2,12,13,14)
InChIKeyLCMCFHIIDFJVKC-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.04
Rot. Bonds1

About 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 121293272) has the molecular formula C7H7F4NO2S and a molecular weight of 245.20 g/mol. Its IUPAC name is 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID121293272
Molecular FormulaC7H7F4NO2S
Molecular Weight245.20 g/mol
Exact Mass245.01
IUPAC Name6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1(F)C(F)(F)F
InChIInChI=1S/C7H7F4NO2S/c8-6(7(9,10)11)4-2-1-3-5(6)15(12,13)14/h1-5H,(H2,12,13,14)
InChIKeyLCMCFHIIDFJVKC-UHFFFAOYSA-N
XLogP1.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (CID 121293272) is 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1C=CC=CC1(F)C(F)(F)F.
What is the InChIKey of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is LCMCFHIIDFJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NO2S/c8-6(7(9,10)11)4-2-1-3-5(6)15(12,13)14/h1-5H,(H2,12,13,14).
What are the key properties of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 245.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 121293272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).