[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride

C9H11ClO3S — CID 117117225

IUPAC[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
SMILESCC(O)c1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-7(11)9-4-2-3-8(5-9)6-14(10,12)13/h2-5,7,11H,6H2,1H3
InChIKeyPQFHOUUCCYRTEP-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.81
Rot. Bonds3

About [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride

[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride (PubChem CID 117117225) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
PubChem CID117117225
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
SMILESCC(O)c1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-7(11)9-4-2-3-8(5-9)6-14(10,12)13/h2-5,7,11H,6H2,1H3
InChIKeyPQFHOUUCCYRTEP-UHFFFAOYSA-N
XLogP1.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-chlorophenyl)methanesulfonyl chloride
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[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
CID 117117239
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[3-(diethylamino)phenyl]methanesulfonyl chloride
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N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride (CID 117117225) is [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride is CC(O)c1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride?
The InChIKey is PQFHOUUCCYRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-7(11)9-4-2-3-8(5-9)6-14(10,12)13/h2-5,7,11H,6H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride?
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117117225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).