4-(bromomethyl)-2-chlorobenzenesulfonyl chloride

C7H5BrCl2O2S — CID 87264741

IUPAC4-(bromomethyl)-2-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CBr)cc1Cl
InChIInChI=1S/C7H5BrCl2O2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2
InChIKeyGMYWZODSAUDIQM-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.16
Rot. Bonds2

About 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride

4-(bromomethyl)-2-chlorobenzenesulfonyl chloride (PubChem CID 87264741) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(bromomethyl)-2-chlorobenzenesulfonyl chloride
PubChem CID87264741
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name4-(bromomethyl)-2-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CBr)cc1Cl
InChIInChI=1S/C7H5BrCl2O2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2
InChIKeyGMYWZODSAUDIQM-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.16
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)-2-chlorobenzenesulfonyl chloride?
The IUPAC name of 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride (CID 87264741) is 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride?
The canonical SMILES for 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride?
The InChIKey is GMYWZODSAUDIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2.
What are the key properties of 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride?
4-(bromomethyl)-2-chlorobenzenesulfonyl chloride has a molecular weight of 303.99 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 87264741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).