5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride

C8H8ClNO3S — CID 172614386

IUPAC5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride
SMILESO=c1cc(S(=O)(=O)Cl)cc2n1CCC2
InChIInChI=1S/C8H8ClNO3S/c9-14(12,13)7-4-6-2-1-3-10(6)8(11)5-7/h4-5H,1-3H2
InChIKeyUSJVCPYLXOBKCL-UHFFFAOYSA-N
MW233.68 g/mol
LogP0.72
Rot. Bonds1

About 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride

5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride (PubChem CID 172614386) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride
PubChem CID172614386
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride
SMILESO=c1cc(S(=O)(=O)Cl)cc2n1CCC2
InChIInChI=1S/C8H8ClNO3S/c9-14(12,13)7-4-6-2-1-3-10(6)8(11)5-7/h4-5H,1-3H2
InChIKeyUSJVCPYLXOBKCL-UHFFFAOYSA-N
XLogP0.72
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride?
The IUPAC name of 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride (CID 172614386) is 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride.
What is the SMILES notation for 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride?
The canonical SMILES for 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride is O=c1cc(S(=O)(=O)Cl)cc2n1CCC2.
What is the InChIKey of 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride?
The InChIKey is USJVCPYLXOBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c9-14(12,13)7-4-6-2-1-3-10(6)8(11)5-7/h4-5H,1-3H2.
What are the key properties of 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride?
5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride has a molecular weight of 233.68 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3-dihydro-1H-indolizine-7-sulfonyl chloride is sourced from PubChem (CID 172614386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).