7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride

C10H9ClO5S — CID 43118893

IUPAC7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride
SMILESCC(=O)c1cc2c(c(S(=O)(=O)Cl)c1)OCCO2
InChIInChI=1S/C10H9ClO5S/c1-6(12)7-4-8-10(16-3-2-15-8)9(5-7)17(11,13)14/h4-5H,2-3H2,1H3
InChIKeyIZTUDUMTCWTMFV-UHFFFAOYSA-N
MW276.70 g/mol
LogP1.59
Rot. Bonds2

About 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride

7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride (PubChem CID 43118893) has the molecular formula C10H9ClO5S and a molecular weight of 276.70 g/mol. Its IUPAC name is 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride.

Molecular Properties

Compound Name7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride
PubChem CID43118893
Molecular FormulaC10H9ClO5S
Molecular Weight276.70 g/mol
Exact Mass275.99
IUPAC Name7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride
SMILESCC(=O)c1cc2c(c(S(=O)(=O)Cl)c1)OCCO2
InChIInChI=1S/C10H9ClO5S/c1-6(12)7-4-8-10(16-3-2-15-8)9(5-7)17(11,13)14/h4-5H,2-3H2,1H3
InChIKeyIZTUDUMTCWTMFV-UHFFFAOYSA-N
XLogP1.59
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 131177273
2,3,6,7-tetrahydrofuro[3,2-g][1]benzofuran-4-sulfonyl chloride
CID 84710258
5-(tert-butylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65372942
6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84712749
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
CID 66598503
1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
5-chloro-N-methyl-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86920331
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
CID 84691746
sodium 5-acetyl-2-sulfanylbenzenesulfonyl chloride
CID 22351930
7-methylsulfanyl-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
CID 116684826
5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65371444
5-acetyl-2-methyl-3-nitrobenzenesulfonyl chloride
CID 43118916

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride?
The IUPAC name of 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride (CID 43118893) is 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride.
What is the SMILES notation for 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride?
The canonical SMILES for 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride is CC(=O)c1cc2c(c(S(=O)(=O)Cl)c1)OCCO2.
What is the InChIKey of 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride?
The InChIKey is IZTUDUMTCWTMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO5S/c1-6(12)7-4-8-10(16-3-2-15-8)9(5-7)17(11,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride?
7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride has a molecular weight of 276.70 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride is sourced from PubChem (CID 43118893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).