chlorosulfonyl 2-phenoxyacetate

C8H7ClO5S — CID 87253994

IUPACchlorosulfonyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OS(=O)(=O)Cl
InChIInChI=1S/C8H7ClO5S/c9-15(11,12)14-8(10)6-13-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyUOSXJGRHHNUUKX-UHFFFAOYSA-N
MW250.66 g/mol
LogP1.09
Rot. Bonds4

About chlorosulfonyl 2-phenoxyacetate

chlorosulfonyl 2-phenoxyacetate (PubChem CID 87253994) has the molecular formula C8H7ClO5S and a molecular weight of 250.66 g/mol. Its IUPAC name is chlorosulfonyl 2-phenoxyacetate.

Molecular Properties

Compound Namechlorosulfonyl 2-phenoxyacetate
PubChem CID87253994
Molecular FormulaC8H7ClO5S
Molecular Weight250.66 g/mol
Exact Mass249.97
IUPAC Namechlorosulfonyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OS(=O)(=O)Cl
InChIInChI=1S/C8H7ClO5S/c9-15(11,12)14-8(10)6-13-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyUOSXJGRHHNUUKX-UHFFFAOYSA-N
XLogP1.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

chloromethane;2-phenoxyacetic acid
CID 157255542
methyl 2-phenoxyethaneperoxoate
CID 57363881
2-phenoxyacetic acid;titanium
CID 174896747
chlorosulfonyloxymethoxybenzene
CID 55280416
3-phenoxy-2-sulfanylidenepropanoic acid
CID 54414786
chlorosulfonyl benzoate;hydrochloride
CID 87590926
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
propan-2-yl 2-phenoxyacetate
CID 11367560
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
phenyl 3-oxo-4-phenoxybutanoate;hydrochloride
CID 172718464
naphthalene;2-phenoxyacetic acid
CID 175275275

Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl 2-phenoxyacetate?
The IUPAC name of chlorosulfonyl 2-phenoxyacetate (CID 87253994) is chlorosulfonyl 2-phenoxyacetate.
What is the SMILES notation for chlorosulfonyl 2-phenoxyacetate?
The canonical SMILES for chlorosulfonyl 2-phenoxyacetate is O=C(COc1ccccc1)OS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonyl 2-phenoxyacetate?
The InChIKey is UOSXJGRHHNUUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO5S/c9-15(11,12)14-8(10)6-13-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of chlorosulfonyl 2-phenoxyacetate?
chlorosulfonyl 2-phenoxyacetate has a molecular weight of 250.66 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl 2-phenoxyacetate is sourced from PubChem (CID 87253994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).