4-(2-methoxyphenoxy)benzenesulfonyl chloride

C13H11ClO4S — CID 2794709

IUPAC4-(2-methoxyphenoxy)benzenesulfonyl chloride
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3
InChIKeyDKNWPXFCLUKCQB-UHFFFAOYSA-N
MW298.75 g/mol
LogP3.41
Rot. Bonds4

About 4-(2-methoxyphenoxy)benzenesulfonyl chloride

4-(2-methoxyphenoxy)benzenesulfonyl chloride (PubChem CID 2794709) has the molecular formula C13H11ClO4S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)benzenesulfonyl chloride
PubChem CID2794709
Molecular FormulaC13H11ClO4S
Molecular Weight298.75 g/mol
Exact Mass298.01
IUPAC Name4-(2-methoxyphenoxy)benzenesulfonyl chloride
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3
InChIKeyDKNWPXFCLUKCQB-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(2-methoxyphenoxy)benzenesulfonyl chloride (CID 2794709) is 4-(2-methoxyphenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methoxyphenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-methoxyphenoxy)benzenesulfonyl chloride is COc1ccccc1Oc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-methoxyphenoxy)benzenesulfonyl chloride?
The InChIKey is DKNWPXFCLUKCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3.
What are the key properties of 4-(2-methoxyphenoxy)benzenesulfonyl chloride?
4-(2-methoxyphenoxy)benzenesulfonyl chloride has a molecular weight of 298.75 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 2794709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).