5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride

C11H12Cl2O4S — CID 62104984

IUPAC5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C11H12Cl2O4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyZGEHGWISCKCNTK-UHFFFAOYSA-N
MW311.19 g/mol
LogP2.68
Rot. Bonds4

About 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride

5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 62104984) has the molecular formula C11H12Cl2O4S and a molecular weight of 311.19 g/mol. Its IUPAC name is 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID62104984
Molecular FormulaC11H12Cl2O4S
Molecular Weight311.19 g/mol
Exact Mass309.98
IUPAC Name5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C11H12Cl2O4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2
InChIKeyZGEHGWISCKCNTK-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride (CID 62104984) is 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCOC1.
What is the InChIKey of 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is ZGEHGWISCKCNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride?
5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 311.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 62104984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).