(5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate

C10H8Cl2O5S — CID 138676008

IUPAC(5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate
SMILESCC(=O)OC1COc2c1cc(Cl)cc2S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl2O5S/c1-5(13)17-8-4-16-10-7(8)2-6(11)3-9(10)18(12,14)15/h2-3,8H,4H2,1H3
InChIKeyOGVKYHKIYKFDDI-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.26
Rot. Bonds2

About (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate

(5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate (PubChem CID 138676008) has the molecular formula C10H8Cl2O5S and a molecular weight of 311.14 g/mol. Its IUPAC name is (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate.

Molecular Properties

Compound Name(5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate
PubChem CID138676008
Molecular FormulaC10H8Cl2O5S
Molecular Weight311.14 g/mol
Exact Mass309.95
IUPAC Name(5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate
SMILESCC(=O)OC1COc2c1cc(Cl)cc2S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl2O5S/c1-5(13)17-8-4-16-10-7(8)2-6(11)3-9(10)18(12,14)15/h2-3,8H,4H2,1H3
InChIKeyOGVKYHKIYKFDDI-UHFFFAOYSA-N
XLogP2.26
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 75480629
ethyl 6-chloro-8-(chlorosulfonyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 86599472
5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
CID 165461315
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 70516721
5-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonyl isocyanate
CID 71330591
5-chloro-2-methyl-N-(oxomethylidene)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 86113122
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonic acid
CID 86113142
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride
CID 86113424
(7-Benzylsulfanyl-5-chloro-2,3-dihydro-1-benzofuran-3-yl) acetate
CID 138675736
5-Chloro-3-(chlorosulfonyl)-2-methoxybenzyl acetate
CID 138675847
5-Chloro-2,3-dihydro-1-benzofuran;5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 160126328
(5-Chloro-3-chlorosulfanyl-2-methoxyphenyl)methyl acetate
CID 172620919

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate?
The IUPAC name of (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate (CID 138676008) is (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate.
What is the SMILES notation for (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate?
The canonical SMILES for (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate is CC(=O)OC1COc2c1cc(Cl)cc2S(=O)(=O)Cl.
What is the InChIKey of (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate?
The InChIKey is OGVKYHKIYKFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O5S/c1-5(13)17-8-4-16-10-7(8)2-6(11)3-9(10)18(12,14)15/h2-3,8H,4H2,1H3.
What are the key properties of (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate?
(5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate has a molecular weight of 311.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-chlorosulfonyl-2,3-dihydro-1-benzofuran-3-yl) acetate is sourced from PubChem (CID 138676008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).