5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride

C7H2BrCl2FO3S — CID 165450515

IUPAC5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(Br)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H2BrCl2FO3S/c8-3-1-4(7(9)12)6(11)5(2-3)15(10,13)14/h1-2H
InChIKeyASESCMFQAGKLTC-UHFFFAOYSA-N
MW335.97 g/mol
LogP2.89
Rot. Bonds2

About 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride

5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride (PubChem CID 165450515) has the molecular formula C7H2BrCl2FO3S and a molecular weight of 335.97 g/mol. Its IUPAC name is 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride
PubChem CID165450515
Molecular FormulaC7H2BrCl2FO3S
Molecular Weight335.97 g/mol
Exact Mass333.83
IUPAC Name5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1cc(Br)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C7H2BrCl2FO3S/c8-3-1-4(7(9)12)6(11)5(2-3)15(10,13)14/h1-2H
InChIKeyASESCMFQAGKLTC-UHFFFAOYSA-N
XLogP2.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.97
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride?
The IUPAC name of 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride (CID 165450515) is 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride.
What is the SMILES notation for 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride?
The canonical SMILES for 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride is O=C(Cl)c1cc(Br)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride?
The InChIKey is ASESCMFQAGKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2FO3S/c8-3-1-4(7(9)12)6(11)5(2-3)15(10,13)14/h1-2H.
What are the key properties of 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride?
5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride has a molecular weight of 335.97 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chlorosulfonyl-2-fluorobenzoyl chloride is sourced from PubChem (CID 165450515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).