(2-bromo-6-chlorophenyl)methanesulfonyl chloride

C7H5BrCl2O2S — CID 117488799

IUPAC(2-bromo-6-chlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1c(Cl)cccc1Br
InChIInChI=1S/C7H5BrCl2O2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2
InChIKeyCFLHNDOFWYDGEF-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.17
Rot. Bonds2

About (2-bromo-6-chlorophenyl)methanesulfonyl chloride

(2-bromo-6-chlorophenyl)methanesulfonyl chloride (PubChem CID 117488799) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)methanesulfonyl chloride
PubChem CID117488799
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name(2-bromo-6-chlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1c(Cl)cccc1Br
InChIInChI=1S/C7H5BrCl2O2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2
InChIKeyCFLHNDOFWYDGEF-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 (2-bromo-6-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

Related Compounds

(2-Chlorophenyl)methanesulfonyl chloride
CID 2757801
(2-Bromophenyl)methanesulfonyl chloride
CID 2761452
(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
(4-Bromo-2-chlorophenyl)methanethiol
CID 91874409
(2-Bromo-5-chlorophenyl)methanesulfonyl chloride
CID 66157488
(2-Bromo-5-chlorophenyl)methanesulfonamide
CID 66157489
(4-Bromo-2-chlorophenyl)methanesulfonyl chloride
CID 83748714
(4-Bromo-3-chlorophenyl)methanesulfonyl chloride
CID 83748716
(4-Bromo-2-chlorophenyl)methanesulfonamide
CID 112639838
(2-Bromo-3-chlorophenyl)methanesulfonamide
CID 132316036
(3-Bromo-2-chloro-6-fluorophenyl)methanesulfonyl chloride
CID 87086652
2-(4-Bromo-2-chloro-5-fluorophenyl)ethanesulfinic acid
CID 140275900

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)methanesulfonyl chloride?
The IUPAC name of (2-bromo-6-chlorophenyl)methanesulfonyl chloride (CID 117488799) is (2-bromo-6-chlorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-bromo-6-chlorophenyl)methanesulfonyl chloride?
The canonical SMILES for (2-bromo-6-chlorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1c(Cl)cccc1Br.
What is the InChIKey of (2-bromo-6-chlorophenyl)methanesulfonyl chloride?
The InChIKey is CFLHNDOFWYDGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2.
What are the key properties of (2-bromo-6-chlorophenyl)methanesulfonyl chloride?
(2-bromo-6-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 (2-bromo-6-chlorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 117488799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).