2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride

C10H8Cl3NO3S — CID 64665755

IUPAC2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl3NO3S/c1-10(5-9(15)14(10)18(13,16)17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyOSFLHERMVCKDKV-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.92
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride

2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 64665755) has the molecular formula C10H8Cl3NO3S and a molecular weight of 328.60 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
PubChem CID64665755
Molecular FormulaC10H8Cl3NO3S
Molecular Weight328.60 g/mol
Exact Mass326.93
IUPAC Name2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(=O)N1S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl3NO3S/c1-10(5-9(15)14(10)18(13,16)17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyOSFLHERMVCKDKV-UHFFFAOYSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride (CID 64665755) is 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride is CC1(c2ccc(Cl)c(Cl)c2)CC(=O)N1S(=O)(=O)Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is OSFLHERMVCKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO3S/c1-10(5-9(15)14(10)18(13,16)17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride?
2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 328.60 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 64665755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).