[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride

C11H13ClO5S — CID 117472649

IUPAC[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
SMILESCOCc1c(CS(=O)(=O)Cl)ccc2c1OCCO2
InChIInChI=1S/C11H13ClO5S/c1-15-6-9-8(7-18(12,13)14)2-3-10-11(9)17-5-4-16-10/h2-3H,4-7H2,1H3
InChIKeyBWDDGUKWBVHTEC-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.67
Rot. Bonds4

About [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride

[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride (PubChem CID 117472649) has the molecular formula C11H13ClO5S and a molecular weight of 292.74 g/mol. Its IUPAC name is [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
PubChem CID117472649
Molecular FormulaC11H13ClO5S
Molecular Weight292.74 g/mol
Exact Mass292.02
IUPAC Name[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
SMILESCOCc1c(CS(=O)(=O)Cl)ccc2c1OCCO2
InChIInChI=1S/C11H13ClO5S/c1-15-6-9-8(7-18(12,13)14)2-3-10-11(9)17-5-4-16-10/h2-3H,4-7H2,1H3
InChIKeyBWDDGUKWBVHTEC-UHFFFAOYSA-N
XLogP1.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methylpropan-2-amine
CID 117381667
2-amino-1-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
CID 117346426
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 117321785
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84807123
2-[5-(methoxymethyl)-1,3-benzodioxol-4-yl]acetic acid
CID 117321473
(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117359951
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117380021
[3-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117443998
2-amino-1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanone
CID 117319352
2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 117396503

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride?
The IUPAC name of [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride (CID 117472649) is [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride?
The canonical SMILES for [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride is COCc1c(CS(=O)(=O)Cl)ccc2c1OCCO2.
What is the InChIKey of [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride?
The InChIKey is BWDDGUKWBVHTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5S/c1-15-6-9-8(7-18(12,13)14)2-3-10-11(9)17-5-4-16-10/h2-3H,4-7H2,1H3.
What are the key properties of [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride?
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride has a molecular weight of 292.74 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride is sourced from PubChem (CID 117472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).