2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride

C11H12ClNO5S — CID 64664060

IUPAC2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1cc(OC)cc(C2CC(=O)N2S(=O)(=O)Cl)c1
InChIInChI=1S/C11H12ClNO5S/c1-17-8-3-7(4-9(5-8)18-2)10-6-11(14)13(10)19(12,15)16/h3-5,10H,6H2,1-2H3
InChIKeyIHJHLDXMHLNQLE-UHFFFAOYSA-N
MW305.74 g/mol
LogP1.46
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride

2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 64664060) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID64664060
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESCOc1cc(OC)cc(C2CC(=O)N2S(=O)(=O)Cl)c1
InChIInChI=1S/C11H12ClNO5S/c1-17-8-3-7(4-9(5-8)18-2)10-6-11(14)13(10)19(12,15)16/h3-5,10H,6H2,1-2H3
InChIKeyIHJHLDXMHLNQLE-UHFFFAOYSA-N
XLogP1.46
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-Dimethoxybenzyl)dodecanamide
CID 76327072
N-but-3-enyl-N-[(3,5-dimethoxyphenyl)methyl]-3-oxo-butanamide
CID 71597646
(4S)-1-benzyl-4-[(3,5-dimethoxyphenyl)methyl]azetidine-2,3-dione
CID 50993313
2-(3-Fluoro-4-methoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 65101561
3-(3,5-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 133765444
3,5-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 806110
4-(3-Methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
4-(3-Methoxyphenyl)-1,3,3-trimethylazetidin-2-one
CID 17798966
4-Butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium
CID 58751488
1-[1-(3-Methoxyphenyl)ethyl]azetidin-2-one
CID 67937600
N-cyclopropyl-N-[(3,5-dimethoxyphenyl)methyl]-2-propylideneheptanamide
CID 69740673
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride (CID 64664060) is 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride is COc1cc(OC)cc(C2CC(=O)N2S(=O)(=O)Cl)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is IHJHLDXMHLNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S/c1-17-8-3-7(4-9(5-8)18-2)10-6-11(14)13(10)19(12,15)16/h3-5,10H,6H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride?
2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 305.74 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 64664060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).