4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride

C11H12BrClO3S — CID 82909967

IUPAC4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
SMILESC=C(Br)COc1ccc(S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C11H12BrClO3S/c1-7(12)6-16-10-4-5-11(17(13,14)15)9(3)8(10)2/h4-5H,1,6H2,2-3H3
InChIKeyLUKBLEOVGVFUIC-UHFFFAOYSA-N
MW339.64 g/mol
LogP3.52
Rot. Bonds4

About 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride

4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 82909967) has the molecular formula C11H12BrClO3S and a molecular weight of 339.64 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
PubChem CID82909967
Molecular FormulaC11H12BrClO3S
Molecular Weight339.64 g/mol
Exact Mass337.94
IUPAC Name4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
SMILESC=C(Br)COc1ccc(S(=O)(=O)Cl)c(C)c1C
InChIInChI=1S/C11H12BrClO3S/c1-7(12)6-16-10-4-5-11(17(13,14)15)9(3)8(10)2/h4-5H,1,6H2,2-3H3
InChIKeyLUKBLEOVGVFUIC-UHFFFAOYSA-N
XLogP3.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
CID 82909789
4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
CID 82910553
4-(3-cyano-3-methylbutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82910211
2,3-dimethyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722847
4-[4-(dimethylamino)-4-oxobutoxy]-2,3-dimethylbenzenesulfonyl chloride
CID 82912541
4-(4-cyanobutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909968
2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82910055
ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
CID 53408203
2,3,5-trimethyl-4-(2-methylprop-2-enoxy)benzenesulfonyl chloride
CID 82909947
4-(2-imidazol-1-ylethoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909719
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
CID 107889725

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride (CID 82909967) is 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride is C=C(Br)COc1ccc(S(=O)(=O)Cl)c(C)c1C.
What is the InChIKey of 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is LUKBLEOVGVFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO3S/c1-7(12)6-16-10-4-5-11(17(13,14)15)9(3)8(10)2/h4-5H,1,6H2,2-3H3.
What are the key properties of 4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride?
4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 339.64 g/mol, XLogP of 3.52, 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)-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 82909967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).