(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride

C10H11ClO5S — CID 117446964

IUPAC(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
SMILESCOc1ccc2c(c1CS(=O)(=O)Cl)COCO2
InChIInChI=1S/C10H11ClO5S/c1-14-9-2-3-10-7(4-15-6-16-10)8(9)5-17(11,12)13/h2-3H,4-6H2,1H3
InChIKeyQLQVOYHRCPYHRU-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.63
Rot. Bonds3

About (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride

(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride (PubChem CID 117446964) has the molecular formula C10H11ClO5S and a molecular weight of 278.71 g/mol. Its IUPAC name is (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
PubChem CID117446964
Molecular FormulaC10H11ClO5S
Molecular Weight278.71 g/mol
Exact Mass278.00
IUPAC Name(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride
SMILESCOc1ccc2c(c1CS(=O)(=O)Cl)COCO2
InChIInChI=1S/C10H11ClO5S/c1-14-9-2-3-10-7(4-15-6-16-10)8(9)5-17(11,12)13/h2-3H,4-6H2,1H3
InChIKeyQLQVOYHRCPYHRU-UHFFFAOYSA-N
XLogP1.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-1,3-dihydro-2-benzofuran-4-yl)methanesulfonyl chloride
CID 84710860
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 84700627
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383598
(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
CID 84710861
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
3-amino-2-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 117385448
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
2-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 117348748
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84807123
2-(5-methoxy-4H-1,3-benzodioxin-6-yl)acetaldehyde
CID 83883626

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride?
The IUPAC name of (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride (CID 117446964) is (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride?
The canonical SMILES for (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride is COc1ccc2c(c1CS(=O)(=O)Cl)COCO2.
What is the InChIKey of (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride?
The InChIKey is QLQVOYHRCPYHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO5S/c1-14-9-2-3-10-7(4-15-6-16-10)8(9)5-17(11,12)13/h2-3H,4-6H2,1H3.
What are the key properties of (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride?
(6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride has a molecular weight of 278.71 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-4H-1,3-benzodioxin-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 117446964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).