11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride

C11H10FNO3S — CID 154832130

IUPAC11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride
SMILESO=C1CCc2cc(S(=O)(=O)F)cc3c2N1CC3
InChIInChI=1S/C11H10FNO3S/c12-17(15,16)9-5-7-1-2-10(14)13-4-3-8(6-9)11(7)13/h5-6H,1-4H2
InChIKeyCHOBPWJHCQMSOR-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.18
Rot. Bonds1

About 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride

11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride (PubChem CID 154832130) has the molecular formula C11H10FNO3S and a molecular weight of 255.27 g/mol. Its IUPAC name is 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride.

Molecular Properties

Compound Name11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride
PubChem CID154832130
Molecular FormulaC11H10FNO3S
Molecular Weight255.27 g/mol
Exact Mass255.04
IUPAC Name11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride
SMILESO=C1CCc2cc(S(=O)(=O)F)cc3c2N1CC3
InChIInChI=1S/C11H10FNO3S/c12-17(15,16)9-5-7-1-2-10(14)13-4-3-8(6-9)11(7)13/h5-6H,1-4H2
InChIKeyCHOBPWJHCQMSOR-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride?
The IUPAC name of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride (CID 154832130) is 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride.
What is the SMILES notation for 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride?
The canonical SMILES for 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride is O=C1CCc2cc(S(=O)(=O)F)cc3c2N1CC3.
What is the InChIKey of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride?
The InChIKey is CHOBPWJHCQMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S/c12-17(15,16)9-5-7-1-2-10(14)13-4-3-8(6-9)11(7)13/h5-6H,1-4H2.
What are the key properties of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride?
11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride has a molecular weight of 255.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride is sourced from PubChem (CID 154832130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).