(4-bromo-2-chlorophenyl)methanesulfonyl chloride

C7H5BrCl2O2S — CID 83748714

IUPAC(4-bromo-2-chlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C7H5BrCl2O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyDKFHGYLVFZYLCQ-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.17
Rot. Bonds2

About (4-bromo-2-chlorophenyl)methanesulfonyl chloride

(4-bromo-2-chlorophenyl)methanesulfonyl chloride (PubChem CID 83748714) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)methanesulfonyl chloride
PubChem CID83748714
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name(4-bromo-2-chlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C7H5BrCl2O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyDKFHGYLVFZYLCQ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-chlorophenyl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)methanesulfonyl chloride?
The IUPAC name of (4-bromo-2-chlorophenyl)methanesulfonyl chloride (CID 83748714) is (4-bromo-2-chlorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-bromo-2-chlorophenyl)methanesulfonyl chloride?
The canonical SMILES for (4-bromo-2-chlorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)methanesulfonyl chloride?
The InChIKey is DKFHGYLVFZYLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2.
What are the key properties of (4-bromo-2-chlorophenyl)methanesulfonyl chloride?
(4-bromo-2-chlorophenyl)methanesulfonyl chloride has a molecular weight of 303.99 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 83748714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).