2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride

C8H6BrCl2NO4S — CID 82909544

IUPAC2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride
SMILESNC(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6BrCl2NO4S/c9-4-1-5(10)8(16-3-7(12)13)6(2-4)17(11,14)15/h1-2H,3H2,(H2,12,13)
InChIKeyARQHKHRRDGTVNI-UHFFFAOYSA-N
MW363.02 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride

2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride (PubChem CID 82909544) has the molecular formula C8H6BrCl2NO4S and a molecular weight of 363.02 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride
PubChem CID82909544
Molecular FormulaC8H6BrCl2NO4S
Molecular Weight363.02 g/mol
Exact Mass360.86
IUPAC Name2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride
SMILESNC(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H6BrCl2NO4S/c9-4-1-5(10)8(16-3-7(12)13)6(2-4)17(11,14)15/h1-2H,3H2,(H2,12,13)
InChIKeyARQHKHRRDGTVNI-UHFFFAOYSA-N
XLogP1.89
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.02
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride (CID 82909544) is 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride is NC(=O)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride?
The InChIKey is ARQHKHRRDGTVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2NO4S/c9-4-1-5(10)8(16-3-7(12)13)6(2-4)17(11,14)15/h1-2H,3H2,(H2,12,13).
What are the key properties of 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride?
2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride has a molecular weight of 363.02 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 82909544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).