3-(oxolan-3-yl)benzenesulfonyl chloride

C10H11ClO3S — CID 84705900

IUPAC3-(oxolan-3-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C2CCOC2)c1
InChIInChI=1S/C10H11ClO3S/c11-15(12,13)10-3-1-2-8(6-10)9-4-5-14-7-9/h1-3,6,9H,4-5,7H2
InChIKeyYFEXVTTWVWLKFV-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.12
Rot. Bonds2

About 3-(oxolan-3-yl)benzenesulfonyl chloride

3-(oxolan-3-yl)benzenesulfonyl chloride (PubChem CID 84705900) has the molecular formula C10H11ClO3S and a molecular weight of 246.71 g/mol. Its IUPAC name is 3-(oxolan-3-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(oxolan-3-yl)benzenesulfonyl chloride
PubChem CID84705900
Molecular FormulaC10H11ClO3S
Molecular Weight246.71 g/mol
Exact Mass246.01
IUPAC Name3-(oxolan-3-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C2CCOC2)c1
InChIInChI=1S/C10H11ClO3S/c11-15(12,13)10-3-1-2-8(6-10)9-4-5-14-7-9/h1-3,6,9H,4-5,7H2
InChIKeyYFEXVTTWVWLKFV-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)benzenesulfonyl chloride?
The IUPAC name of 3-(oxolan-3-yl)benzenesulfonyl chloride (CID 84705900) is 3-(oxolan-3-yl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(oxolan-3-yl)benzenesulfonyl chloride?
The canonical SMILES for 3-(oxolan-3-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C2CCOC2)c1.
What is the InChIKey of 3-(oxolan-3-yl)benzenesulfonyl chloride?
The InChIKey is YFEXVTTWVWLKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3S/c11-15(12,13)10-3-1-2-8(6-10)9-4-5-14-7-9/h1-3,6,9H,4-5,7H2.
What are the key properties of 3-(oxolan-3-yl)benzenesulfonyl chloride?
3-(oxolan-3-yl)benzenesulfonyl chloride has a molecular weight of 246.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)benzenesulfonyl chloride is sourced from PubChem (CID 84705900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).