2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride

C11H11Cl3O3S — CID 82910055

IUPAC2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
SMILESC=C(CC)COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl3O3S/c1-3-7(2)6-17-8-4-5-9(18(14,15)16)11(13)10(8)12/h4-5H,2-3,6H2,1H3
InChIKeyXGGVZLYLVZHONK-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.27
Rot. Bonds5

About 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride

2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride (PubChem CID 82910055) has the molecular formula C11H11Cl3O3S and a molecular weight of 329.63 g/mol. Its IUPAC name is 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
PubChem CID82910055
Molecular FormulaC11H11Cl3O3S
Molecular Weight329.63 g/mol
Exact Mass327.95
IUPAC Name2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
SMILESC=C(CC)COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl3O3S/c1-3-7(2)6-17-8-4-5-9(18(14,15)16)11(13)10(8)12/h4-5H,2-3,6H2,1H3
InChIKeyXGGVZLYLVZHONK-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-(2-methylidenebutoxy)quinoline-5-sulfonyl chloride
CID 83172298
3-bromo-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82909746
2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
CID 60922522
4-(2,3-dichloro-4-chlorosulfonylphenoxy)butanoic acid
CID 43247032
2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190
4-(2-bromoprop-2-enoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82909967
2-methoxy-3-(2-methylidenebutoxy)-5-nitrobenzenesulfonyl chloride
CID 82913449
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
CID 43134405
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 62126886
5-(2-methylidenebutoxy)quinoline-8-sulfonamide
CID 103045360
4-(2-methylidenebutoxy)-3-sulfamoylbenzoic acid
CID 82921849

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride (CID 82910055) is 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride is C=C(CC)COc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride?
The InChIKey is XGGVZLYLVZHONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O3S/c1-3-7(2)6-17-8-4-5-9(18(14,15)16)11(13)10(8)12/h4-5H,2-3,6H2,1H3.
What are the key properties of 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride?
2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride has a molecular weight of 329.63 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).