2-(3-chlorophenyl)ethanesulfonyl chloride

C8H8Cl2O2S — CID 2757779

IUPAC2-(3-chlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cccc(Cl)c1
InChIInChI=1S/C8H8Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,4-5H2
InChIKeyPDUXISISBUJADZ-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-chlorophenyl)ethanesulfonyl chloride

2-(3-chlorophenyl)ethanesulfonyl chloride (PubChem CID 2757779) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethanesulfonyl chloride
PubChem CID2757779
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name2-(3-chlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cccc(Cl)c1
InChIInChI=1S/C8H8Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,4-5H2
InChIKeyPDUXISISBUJADZ-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfone, p-chlorobenzyl 2-chloroethyl
CID 99233
p-Chlorobenzyl vinyl sulfone
CID 99234
(E)-2-(4-chlorophenyl)ethene-1-sulfonyl fluoride
CID 121553280
2-Chlorobenzylsulfonamide
CID 146065
(4-Chlorophenyl)methanesulfonyl chloride
CID 227304
(2-Chlorophenyl)methanesulfonyl chloride
CID 2757801
(3-Chlorophenyl)methanesulfonyl chloride
CID 2757802
2-Phenylethane-1-sulfonyl chloride
CID 2760374
2-(3-Chlorophenyl)ethynesulfonamide
CID 58371425
Sulfone, p-chlorobenzyl methyl
CID 6453790
2-(3-chlorophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9861375
2-(2-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757778

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-chlorophenyl)ethanesulfonyl chloride (CID 2757779) is 2-(3-chlorophenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-chlorophenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-chlorophenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethanesulfonyl chloride?
The InChIKey is PDUXISISBUJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)ethanesulfonyl chloride?
2-(3-chlorophenyl)ethanesulfonyl chloride has a molecular weight of 239.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethanesulfonyl chloride is sourced from PubChem (CID 2757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).