2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride

C9H6BrCl2NO3S — CID 66158070

IUPAC2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESO=C1CC(c2cc(Cl)ccc2Br)N1S(=O)(=O)Cl
InChIInChI=1S/C9H6BrCl2NO3S/c10-7-2-1-5(11)3-6(7)8-4-9(14)13(8)17(12,15)16/h1-3,8H,4H2
InChIKeyIIYOKALPNGOAIF-UHFFFAOYSA-N
MW359.03 g/mol
LogP2.86
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride

2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 66158070) has the molecular formula C9H6BrCl2NO3S and a molecular weight of 359.03 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID66158070
Molecular FormulaC9H6BrCl2NO3S
Molecular Weight359.03 g/mol
Exact Mass356.86
IUPAC Name2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESO=C1CC(c2cc(Cl)ccc2Br)N1S(=O)(=O)Cl
InChIInChI=1S/C9H6BrCl2NO3S/c10-7-2-1-5(11)3-6(7)8-4-9(14)13(8)17(12,15)16/h1-3,8H,4H2
InChIKeyIIYOKALPNGOAIF-UHFFFAOYSA-N
XLogP2.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.03
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride (CID 66158070) is 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride is O=C1CC(c2cc(Cl)ccc2Br)N1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is IIYOKALPNGOAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2NO3S/c10-7-2-1-5(11)3-6(7)8-4-9(14)13(8)17(12,15)16/h1-3,8H,4H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 359.03 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 66158070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).