4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride

C7H5BrClFO2S — CID 88741901

IUPAC4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(CBr)c(Cl)c1
InChIInChI=1S/C7H5BrClFO2S/c8-4-5-1-2-6(3-7(5)9)13(10,11)12/h1-3H,4H2
InChIKeyLZGMNPNEFWLQJN-UHFFFAOYSA-N
MW287.54 g/mol
LogP2.89
Rot. Bonds2

About 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride

4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride (PubChem CID 88741901) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride
PubChem CID88741901
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(CBr)c(Cl)c1
InChIInChI=1S/C7H5BrClFO2S/c8-4-5-1-2-6(3-7(5)9)13(10,11)12/h1-3H,4H2
InChIKeyLZGMNPNEFWLQJN-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride?
The IUPAC name of 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride (CID 88741901) is 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride.
What is the SMILES notation for 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride?
The canonical SMILES for 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(CBr)c(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride?
The InChIKey is LZGMNPNEFWLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c8-4-5-1-2-6(3-7(5)9)13(10,11)12/h1-3H,4H2.
What are the key properties of 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride?
4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride has a molecular weight of 287.54 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-chlorobenzenesulfonyl fluoride is sourced from PubChem (CID 88741901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).