1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride

C12H14ClNO2S — CID 84809451

IUPAC1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C12H14ClNO2S/c13-17(15,16)11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
InChIKeyJWZDLUSDWIJXHE-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.31
Rot. Bonds1

About 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride (PubChem CID 84809451) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride
PubChem CID84809451
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C12H14ClNO2S/c13-17(15,16)11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
InChIKeyJWZDLUSDWIJXHE-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride (CID 84809451) is 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride is O=S(=O)(Cl)c1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride?
The InChIKey is JWZDLUSDWIJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-17(15,16)11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride?
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride has a molecular weight of 271.77 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonyl chloride is sourced from PubChem (CID 84809451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).