1-chloro-4-(2-chlorosulfonyloxyethyl)benzene

C8H8Cl2O3S — CID 88684759

IUPAC1-chloro-4-(2-chlorosulfonyloxyethyl)benzene
SMILESO=S(=O)(Cl)OCCc1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O3S/c9-8-3-1-7(2-4-8)5-6-13-14(10,11)12/h1-4H,5-6H2
InChIKeyLRHIEWNJSLRKGR-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.38
Rot. Bonds4

About 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene

1-chloro-4-(2-chlorosulfonyloxyethyl)benzene (PubChem CID 88684759) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-chlorosulfonyloxyethyl)benzene
PubChem CID88684759
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name1-chloro-4-(2-chlorosulfonyloxyethyl)benzene
SMILESO=S(=O)(Cl)OCCc1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O3S/c9-8-3-1-7(2-4-8)5-6-13-14(10,11)12/h1-4H,5-6H2
InChIKeyLRHIEWNJSLRKGR-UHFFFAOYSA-N
XLogP2.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)ethyl carbamate
CID 90103604
3-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 23081194
2-(4-fluorophenyl)ethyl methanesulfonate
CID 15036433
3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
2-(4-chloro-3-methylphenyl)ethyl methanesulfonate
CID 134540776
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-oxobutanoate
CID 155660628
2-(4-chlorophenyl)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91715952
3-(4-chlorophenyl)propane-1-sulfonate
CID 23047341
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 155660625
2-[6-(4-chlorophenyl)hexoxy]ethyl trifluoromethanesulfonate
CID 57235190
6-(4-chlorophenyl)hexyl acetate
CID 139787467

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene?
The IUPAC name of 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene (CID 88684759) is 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene?
The canonical SMILES for 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene is O=S(=O)(Cl)OCCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene?
The InChIKey is LRHIEWNJSLRKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c9-8-3-1-7(2-4-8)5-6-13-14(10,11)12/h1-4H,5-6H2.
What are the key properties of 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene?
1-chloro-4-(2-chlorosulfonyloxyethyl)benzene has a molecular weight of 255.12 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-chlorosulfonyloxyethyl)benzene is sourced from PubChem (CID 88684759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).