5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride

C10H9BrCl2O3S — CID 82910287

IUPAC5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride
SMILESC=CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9BrCl2O3S/c1-2-3-4-16-10-8(12)5-7(11)6-9(10)17(13,14)15/h2,5-6H,1,3-4H2
InChIKeyONPJHKXHDHYNSC-UHFFFAOYSA-N
MW360.06 g/mol
LogP3.98
Rot. Bonds5

About 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride

5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride (PubChem CID 82910287) has the molecular formula C10H9BrCl2O3S and a molecular weight of 360.06 g/mol. Its IUPAC name is 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride
PubChem CID82910287
Molecular FormulaC10H9BrCl2O3S
Molecular Weight360.06 g/mol
Exact Mass357.88
IUPAC Name5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride
SMILESC=CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9BrCl2O3S/c1-2-3-4-16-10-8(12)5-7(11)6-9(10)17(13,14)15/h2,5-6H,1,3-4H2
InChIKeyONPJHKXHDHYNSC-UHFFFAOYSA-N
XLogP3.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.06
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
CID 81106546
5-bromo-3-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942381
5-bromo-2-(2-butoxyethoxy)-3-chlorobenzenesulfonyl chloride
CID 61483068
5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65457787
5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-(oxan-4-ylmethoxy)benzenesulfonyl chloride
CID 62386935
5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82910206
5-bromo-4-but-3-enoxy-2-fluorobenzenesulfonyl chloride
CID 82922059
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481199
5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride (CID 82910287) is 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride is C=CCCOc1c(Cl)cc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride?
The InChIKey is ONPJHKXHDHYNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2O3S/c1-2-3-4-16-10-8(12)5-7(11)6-9(10)17(13,14)15/h2,5-6H,1,3-4H2.
What are the key properties of 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride?
5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride has a molecular weight of 360.06 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 82910287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).