2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride

C12H14ClNO5S — CID 64667055

IUPAC2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1ccc(OC)c(C2(C)CC(=O)N2S(=O)(=O)Cl)c1
InChIInChI=1S/C12H14ClNO5S/c1-12(7-11(15)14(12)20(13,16)17)9-6-8(18-2)4-5-10(9)19-3/h4-6H,7H2,1-3H3
InChIKeyFKZBSJVNAYVOSH-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.63
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride

2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 64667055) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
PubChem CID64667055
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Name2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1ccc(OC)c(C2(C)CC(=O)N2S(=O)(=O)Cl)c1
InChIInChI=1S/C12H14ClNO5S/c1-12(7-11(15)14(12)20(13,16)17)9-6-8(18-2)4-5-10(9)19-3/h4-6H,7H2,1-3H3
InChIKeyFKZBSJVNAYVOSH-UHFFFAOYSA-N
XLogP1.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride (CID 64667055) is 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride is COc1ccc(OC)c(C2(C)CC(=O)N2S(=O)(=O)Cl)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is FKZBSJVNAYVOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c1-12(7-11(15)14(12)20(13,16)17)9-6-8(18-2)4-5-10(9)19-3/h4-6H,7H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 319.77 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 64667055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).