4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride

C9H6BrCl3O3S — CID 82910553

IUPAC4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
SMILESC=C(Br)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C9H6BrCl3O3S/c1-5(10)4-16-8-2-7(12)9(3-6(8)11)17(13,14)15/h2-3H,1,4H2
InChIKeyDUHLFIGWAPIHRH-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.21
Rot. Bonds4

About 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride

4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride (PubChem CID 82910553) has the molecular formula C9H6BrCl3O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
PubChem CID82910553
Molecular FormulaC9H6BrCl3O3S
Molecular Weight380.47 g/mol
Exact Mass377.83
IUPAC Name4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
SMILESC=C(Br)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C9H6BrCl3O3S/c1-5(10)4-16-8-2-7(12)9(3-6(8)11)17(13,14)15/h2-3H,1,4H2
InChIKeyDUHLFIGWAPIHRH-UHFFFAOYSA-N
XLogP4.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142
4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909967
2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
CID 82910233
4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
CID 82909789
4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
CID 82910234
2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65458261
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
4-(2-bromoprop-2-enoxy)-3-chlorobenzonitrile
CID 60561510
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
CID 82913218
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride?
The IUPAC name of 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride (CID 82910553) is 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride is C=C(Br)COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride?
The InChIKey is DUHLFIGWAPIHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl3O3S/c1-5(10)4-16-8-2-7(12)9(3-6(8)11)17(13,14)15/h2-3H,1,4H2.
What are the key properties of 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride?
4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride has a molecular weight of 380.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 82910553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).