[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride

C13H15Cl3O4S — CID 65004571

IUPAC[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2cccc(Cl)c2Cl)CCOCC1
InChIInChI=1S/C13H15Cl3O4S/c14-10-2-1-3-11(12(10)15)20-8-13(9-21(16,17)18)4-6-19-7-5-13/h1-3H,4-9H2
InChIKeySXARQOHGMAMFDU-UHFFFAOYSA-N
MW373.69 g/mol
LogP3.74
Rot. Bonds5

About [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride

[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004571) has the molecular formula C13H15Cl3O4S and a molecular weight of 373.69 g/mol. Its IUPAC name is [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
PubChem CID65004571
Molecular FormulaC13H15Cl3O4S
Molecular Weight373.69 g/mol
Exact Mass371.98
IUPAC Name[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2cccc(Cl)c2Cl)CCOCC1
InChIInChI=1S/C13H15Cl3O4S/c14-10-2-1-3-11(12(10)15)20-8-13(9-21(16,17)18)4-6-19-7-5-13/h1-3H,4-9H2
InChIKeySXARQOHGMAMFDU-UHFFFAOYSA-N
XLogP3.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.69
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride (CID 65004571) is [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COc2cccc(Cl)c2Cl)CCOCC1.
What is the InChIKey of [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride?
The InChIKey is SXARQOHGMAMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O4S/c14-10-2-1-3-11(12(10)15)20-8-13(9-21(16,17)18)4-6-19-7-5-13/h1-3H,4-9H2.
What are the key properties of [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride?
[4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride has a molecular weight of 373.69 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dichlorophenoxy)methyl]oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).