6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide

C7H10FNO2S — CID 69295249

IUPAC6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1(S(N)(=O)=O)C=CC=CC1F
InChIInChI=1S/C7H10FNO2S/c1-7(12(9,10)11)5-3-2-4-6(7)8/h2-6H,1H3,(H2,9,10,11)
InChIKeyIGDJRPUUSIDZTA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.50
Rot. Bonds1

About 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide

6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 69295249) has the molecular formula C7H10FNO2S and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID69295249
Molecular FormulaC7H10FNO2S
Molecular Weight191.23 g/mol
Exact Mass191.04
IUPAC Name6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1(S(N)(=O)=O)C=CC=CC1F
InChIInChI=1S/C7H10FNO2S/c1-7(12(9,10)11)5-3-2-4-6(7)8/h2-6H,1H3,(H2,9,10,11)
InChIKeyIGDJRPUUSIDZTA-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide (CID 69295249) is 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide is CC1(S(N)(=O)=O)C=CC=CC1F.
What is the InChIKey of 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is IGDJRPUUSIDZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2S/c1-7(12(9,10)11)5-3-2-4-6(7)8/h2-6H,1H3,(H2,9,10,11).
What are the key properties of 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide?
6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 191.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 69295249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).