2-(2-chlorosulfonylphenoxy)acetic acid

C8H7ClO5S — CID 54560500

IUPAC2-(2-chlorosulfonylphenoxy)acetic acid
SMILESO=C(O)COc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClO5S/c9-15(12,13)7-4-2-1-3-6(7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyZQEWKKIYKBJSOX-UHFFFAOYSA-N
MW250.66 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-chlorosulfonylphenoxy)acetic acid

2-(2-chlorosulfonylphenoxy)acetic acid (PubChem CID 54560500) has the molecular formula C8H7ClO5S and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-(2-chlorosulfonylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-chlorosulfonylphenoxy)acetic acid
PubChem CID54560500
Molecular FormulaC8H7ClO5S
Molecular Weight250.66 g/mol
Exact Mass249.97
IUPAC Name2-(2-chlorosulfonylphenoxy)acetic acid
SMILESO=C(O)COc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClO5S/c9-15(12,13)7-4-2-1-3-6(7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyZQEWKKIYKBJSOX-UHFFFAOYSA-N
XLogP1.08
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
2-butoxybenzenesulfonyl chloride
CID 21253032
CID 131854846
CID 131854846
2-pentoxybenzenesulfonyl chloride
CID 87516954
2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid
CID 140997856
ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
CID 53408203
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorosulfonylphenoxy)acetic acid?
The IUPAC name of 2-(2-chlorosulfonylphenoxy)acetic acid (CID 54560500) is 2-(2-chlorosulfonylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-chlorosulfonylphenoxy)acetic acid?
The canonical SMILES for 2-(2-chlorosulfonylphenoxy)acetic acid is O=C(O)COc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-chlorosulfonylphenoxy)acetic acid?
The InChIKey is ZQEWKKIYKBJSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO5S/c9-15(12,13)7-4-2-1-3-6(7)14-5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(2-chlorosulfonylphenoxy)acetic acid?
2-(2-chlorosulfonylphenoxy)acetic acid has a molecular weight of 250.66 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorosulfonylphenoxy)acetic acid is sourced from PubChem (CID 54560500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).