2-phenylethanesulfonyl chloride

C8H9ClO2S — CID 2760374

IUPAC2-phenylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccccc1
InChIInChI=1S/C8H9ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyLKFNLHZZPHHFEC-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.80
Rot. Bonds3

About 2-phenylethanesulfonyl chloride

2-phenylethanesulfonyl chloride (PubChem CID 2760374) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-phenylethanesulfonyl chloride.

Molecular Properties

Compound Name2-phenylethanesulfonyl chloride
PubChem CID2760374
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name2-phenylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccccc1
InChIInChI=1S/C8H9ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyLKFNLHZZPHHFEC-UHFFFAOYSA-N
XLogP1.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethanesulfonyl chloride?
The IUPAC name of 2-phenylethanesulfonyl chloride (CID 2760374) is 2-phenylethanesulfonyl chloride.
What is the SMILES notation for 2-phenylethanesulfonyl chloride?
The canonical SMILES for 2-phenylethanesulfonyl chloride is O=S(=O)(Cl)CCc1ccccc1.
What is the InChIKey of 2-phenylethanesulfonyl chloride?
The InChIKey is LKFNLHZZPHHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-phenylethanesulfonyl chloride?
2-phenylethanesulfonyl chloride has a molecular weight of 204.68 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanesulfonyl chloride is sourced from PubChem (CID 2760374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).