2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride

C11H13ClO2S2 — CID 84714554

IUPAC2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccccc1C1CSC1
InChIInChI=1S/C11H13ClO2S2/c12-16(13,14)6-5-9-3-1-2-4-11(9)10-7-15-8-10/h1-4,10H,5-8H2
InChIKeyJZIOIROKDCVQGH-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.63
Rot. Bonds4

About 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride

2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride (PubChem CID 84714554) has the molecular formula C11H13ClO2S2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride
PubChem CID84714554
Molecular FormulaC11H13ClO2S2
Molecular Weight276.81 g/mol
Exact Mass276.00
IUPAC Name2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccccc1C1CSC1
InChIInChI=1S/C11H13ClO2S2/c12-16(13,14)6-5-9-3-1-2-4-11(9)10-7-15-8-10/h1-4,10H,5-8H2
InChIKeyJZIOIROKDCVQGH-UHFFFAOYSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride?
The IUPAC name of 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride (CID 84714554) is 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride is O=S(=O)(Cl)CCc1ccccc1C1CSC1.
What is the InChIKey of 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride?
The InChIKey is JZIOIROKDCVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S2/c12-16(13,14)6-5-9-3-1-2-4-11(9)10-7-15-8-10/h1-4,10H,5-8H2.
What are the key properties of 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride?
2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride has a molecular weight of 276.81 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thietan-3-yl)phenyl]ethanesulfonyl chloride is sourced from PubChem (CID 84714554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).