2-hydroxy-2-phenylethanesulfonyl chloride

C8H9ClO3S — CID 115032395

IUPAC2-hydroxy-2-phenylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)c1ccccc1
InChIInChI=1S/C8H9ClO3S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKeyZXKXMZQOSVJZBD-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.29
Rot. Bonds3

About 2-hydroxy-2-phenylethanesulfonyl chloride

2-hydroxy-2-phenylethanesulfonyl chloride (PubChem CID 115032395) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-hydroxy-2-phenylethanesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-2-phenylethanesulfonyl chloride
PubChem CID115032395
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name2-hydroxy-2-phenylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)c1ccccc1
InChIInChI=1S/C8H9ClO3S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKeyZXKXMZQOSVJZBD-UHFFFAOYSA-N
XLogP1.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
CID 115047465
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
(2S)-2-hydroxy-N,2-diphenylethanesulfonamide
CID 135065359
3-(3-hydroxy-3-phenylpropyl)sulfonyl-1-phenylpropan-1-ol
CID 13482580
(1S)-2-chloro-1-phenylethanol
CID 643323
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
2-chloro-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzoic acid
CID 66877737
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
1-phenyl-2-phosphanylethanol
CID 572080
(1R)-1,2-diphenylethanol
CID 1379022

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylethanesulfonyl chloride?
The IUPAC name of 2-hydroxy-2-phenylethanesulfonyl chloride (CID 115032395) is 2-hydroxy-2-phenylethanesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-2-phenylethanesulfonyl chloride?
The canonical SMILES for 2-hydroxy-2-phenylethanesulfonyl chloride is O=S(=O)(Cl)CC(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylethanesulfonyl chloride?
The InChIKey is ZXKXMZQOSVJZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2.
What are the key properties of 2-hydroxy-2-phenylethanesulfonyl chloride?
2-hydroxy-2-phenylethanesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylethanesulfonyl chloride is sourced from PubChem (CID 115032395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).