2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride

C8H8Cl2O3S — CID 115047465

IUPAC2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O3S/c9-7-3-1-6(2-4-7)8(11)5-14(10,12)13/h1-4,8,11H,5H2
InChIKeyYIQGYYRSZYPVLK-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.94
Rot. Bonds3

About 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride

2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride (PubChem CID 115047465) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
PubChem CID115047465
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O3S/c9-7-3-1-6(2-4-7)8(11)5-14(10,12)13/h1-4,8,11H,5H2
InChIKeyYIQGYYRSZYPVLK-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Dichlorobenzhydrol
CID 7033
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
1-(4-Chlorophenyl)ethane-1,2-diol
CID 101107
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(4-chlorophenyl)ethan-1-ol
CID 643324
(1R)-1-(4-chlorophenyl)ethane-1,2-diol
CID 9793974
(1S)-2-chloro-1-(4-chlorophenyl)ethan-1-ol
CID 10997831
1-(4-Chlorophenyl)butan-1-ol
CID 117166
1,2-Bis(p-chlorophenyl) ethanol
CID 42056

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride (CID 115047465) is 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride is O=S(=O)(Cl)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride?
The InChIKey is YIQGYYRSZYPVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c9-7-3-1-6(2-4-7)8(11)5-14(10,12)13/h1-4,8,11H,5H2.
What are the key properties of 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride?
2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride has a molecular weight of 255.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride is sourced from PubChem (CID 115047465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).