2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride

C10H9ClFNO4S — CID 65101561

IUPAC2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1ccc(C2CC(=O)N2S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H9ClFNO4S/c1-17-9-3-2-6(4-7(9)12)8-5-10(14)13(8)18(11,15)16/h2-4,8H,5H2,1H3
InChIKeyJVBOSZDRJVUPAW-UHFFFAOYSA-N
MW293.70 g/mol
LogP1.59
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride

2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 65101561) has the molecular formula C10H9ClFNO4S and a molecular weight of 293.70 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID65101561
Molecular FormulaC10H9ClFNO4S
Molecular Weight293.70 g/mol
Exact Mass292.99
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1ccc(C2CC(=O)N2S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H9ClFNO4S/c1-17-9-3-2-6(4-7(9)12)8-5-10(14)13(8)18(11,15)16/h2-4,8H,5H2,1H3
InChIKeyJVBOSZDRJVUPAW-UHFFFAOYSA-N
XLogP1.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride (CID 65101561) is 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride is COc1ccc(C2CC(=O)N2S(=O)(=O)Cl)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is JVBOSZDRJVUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO4S/c1-17-9-3-2-6(4-7(9)12)8-5-10(14)13(8)18(11,15)16/h2-4,8H,5H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 293.70 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 65101561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).