2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride

C10H9Cl3O4S — CID 63557749

IUPAC2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OC2CCOC2)cc1Cl
InChIInChI=1S/C10H9Cl3O4S/c11-7-4-10(18(13,14)15)8(12)3-9(7)17-6-1-2-16-5-6/h3-4,6H,1-2,5H2
InChIKeyROMPQXDMUOOKTG-UHFFFAOYSA-N
MW331.60 g/mol
LogP3.09
Rot. Bonds3

About 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride

2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride (PubChem CID 63557749) has the molecular formula C10H9Cl3O4S and a molecular weight of 331.60 g/mol. Its IUPAC name is 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride
PubChem CID63557749
Molecular FormulaC10H9Cl3O4S
Molecular Weight331.60 g/mol
Exact Mass329.93
IUPAC Name2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OC2CCOC2)cc1Cl
InChIInChI=1S/C10H9Cl3O4S/c11-7-4-10(18(13,14)15)8(12)3-9(7)17-6-1-2-16-5-6/h3-4,6H,1-2,5H2
InChIKeyROMPQXDMUOOKTG-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride (CID 63557749) is 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OC2CCOC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride?
The InChIKey is ROMPQXDMUOOKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O4S/c11-7-4-10(18(13,14)15)8(12)3-9(7)17-6-1-2-16-5-6/h3-4,6H,1-2,5H2.
What are the key properties of 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride?
2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride has a molecular weight of 331.60 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride is sourced from PubChem (CID 63557749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).