2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride

C12H14ClNO6S — CID 64664070

IUPAC2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride
SMILESCOc1ccc(C2CC(=O)N2S(=O)(=O)Cl)c(OC)c1OC
InChIInChI=1S/C12H14ClNO6S/c1-18-9-5-4-7(11(19-2)12(9)20-3)8-6-10(15)14(8)21(13,16)17/h4-5,8H,6H2,1-3H3
InChIKeyZKTCQCLMGDWQRW-UHFFFAOYSA-N
MW335.77 g/mol
LogP1.47
Rot. Bonds5

About 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride

2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride (PubChem CID 64664070) has the molecular formula C12H14ClNO6S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride
PubChem CID64664070
Molecular FormulaC12H14ClNO6S
Molecular Weight335.77 g/mol
Exact Mass335.02
IUPAC Name2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride
SMILESCOc1ccc(C2CC(=O)N2S(=O)(=O)Cl)c(OC)c1OC
InChIInChI=1S/C12H14ClNO6S/c1-18-9-5-4-7(11(19-2)12(9)20-3)8-6-10(15)14(8)21(13,16)17/h4-5,8H,6H2,1-3H3
InChIKeyZKTCQCLMGDWQRW-UHFFFAOYSA-N
XLogP1.47
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride?
The IUPAC name of 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride (CID 64664070) is 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride?
The canonical SMILES for 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride is COc1ccc(C2CC(=O)N2S(=O)(=O)Cl)c(OC)c1OC.
What is the InChIKey of 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride?
The InChIKey is ZKTCQCLMGDWQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO6S/c1-18-9-5-4-7(11(19-2)12(9)20-3)8-6-10(15)14(8)21(13,16)17/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride?
2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride has a molecular weight of 335.77 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(2,3,4-trimethoxyphenyl)azetidine-1-sulfonyl chloride is sourced from PubChem (CID 64664070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).