2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride

C8H7BrCl2O2S — CID 75412272

IUPAC2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C8H7BrCl2O2S/c9-8-2-1-7(10)5-6(8)3-4-14(11,12)13/h1-2,5H,3-4H2
InChIKeyAULRUPRPAKCIFX-UHFFFAOYSA-N
MW318.02 g/mol
LogP3.21
Rot. Bonds3

About 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride

2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride (PubChem CID 75412272) has the molecular formula C8H7BrCl2O2S and a molecular weight of 318.02 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride
PubChem CID75412272
Molecular FormulaC8H7BrCl2O2S
Molecular Weight318.02 g/mol
Exact Mass315.87
IUPAC Name2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cc(Cl)ccc1Br
InChIInChI=1S/C8H7BrCl2O2S/c9-8-2-1-7(10)5-6(8)3-4-14(11,12)13/h1-2,5H,3-4H2
InChIKeyAULRUPRPAKCIFX-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.02
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride (CID 75412272) is 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride?
The InChIKey is AULRUPRPAKCIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O2S/c9-8-2-1-7(10)5-6(8)3-4-14(11,12)13/h1-2,5H,3-4H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride?
2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride has a molecular weight of 318.02 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)ethanesulfonyl chloride is sourced from PubChem (CID 75412272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).