2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride

C11H12Cl3NO4S — CID 82910233

IUPAC2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
SMILESCCCNC(=O)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO4S/c1-2-3-15-11(16)6-19-9-4-8(13)10(5-7(9)12)20(14,17)18/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeySIBXKXHNGCIHTL-UHFFFAOYSA-N
MW360.65 g/mol
LogP2.83
Rot. Bonds6

About 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride

2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride (PubChem CID 82910233) has the molecular formula C11H12Cl3NO4S and a molecular weight of 360.65 g/mol. Its IUPAC name is 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
PubChem CID82910233
Molecular FormulaC11H12Cl3NO4S
Molecular Weight360.65 g/mol
Exact Mass358.96
IUPAC Name2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
SMILESCCCNC(=O)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO4S/c1-2-3-15-11(16)6-19-9-4-8(13)10(5-7(9)12)20(14,17)18/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeySIBXKXHNGCIHTL-UHFFFAOYSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
CID 82910553
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 113389961
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
N-[(E)-pent-3-enyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 115627905
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 114320622
4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
CID 82910234

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride (CID 82910233) is 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride is CCCNC(=O)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride?
The InChIKey is SIBXKXHNGCIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO4S/c1-2-3-15-11(16)6-19-9-4-8(13)10(5-7(9)12)20(14,17)18/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride?
2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride has a molecular weight of 360.65 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).