5-fluorocyclohexa-1,5-diene-1-sulfonamide

C6H8FNO2S — CID 89382549

IUPAC5-fluorocyclohexa-1,5-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CCCC(F)=C1
InChIInChI=1S/C6H8FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h3-4H,1-2H2,(H2,8,9,10)
InChIKeyPDMJABZUHYQUKS-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.81
Rot. Bonds1

About 5-fluorocyclohexa-1,5-diene-1-sulfonamide

5-fluorocyclohexa-1,5-diene-1-sulfonamide (PubChem CID 89382549) has the molecular formula C6H8FNO2S and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-fluorocyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name5-fluorocyclohexa-1,5-diene-1-sulfonamide
PubChem CID89382549
Molecular FormulaC6H8FNO2S
Molecular Weight177.20 g/mol
Exact Mass177.03
IUPAC Name5-fluorocyclohexa-1,5-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CCCC(F)=C1
InChIInChI=1S/C6H8FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h3-4H,1-2H2,(H2,8,9,10)
InChIKeyPDMJABZUHYQUKS-UHFFFAOYSA-N
XLogP0.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluorocyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 5-fluorocyclohexa-1,5-diene-1-sulfonamide (CID 89382549) is 5-fluorocyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 5-fluorocyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 5-fluorocyclohexa-1,5-diene-1-sulfonamide is NS(=O)(=O)C1=CCCC(F)=C1.
What is the InChIKey of 5-fluorocyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is PDMJABZUHYQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h3-4H,1-2H2,(H2,8,9,10).
What are the key properties of 5-fluorocyclohexa-1,5-diene-1-sulfonamide?
5-fluorocyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 177.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 89382549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).