2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate

C10H10ClO5S- — CID 22479344

IUPAC2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate
SMILESCc1cc(OCC(=O)[O-])cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO5S/c1-6-3-8(16-5-9(12)13)4-7(2)10(6)17(11,14)15/h3-4H,5H2,1-2H3,(H,12,13)/p-1
InChIKeyKJNSDBCIWPDTGL-UHFFFAOYSA-M
MW277.71 g/mol
LogP0.36
Rot. Bonds4

About 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate

2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate (PubChem CID 22479344) has the molecular formula C10H10ClO5S- and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate
PubChem CID22479344
Molecular FormulaC10H10ClO5S-
Molecular Weight277.71 g/mol
Exact Mass276.99
IUPAC Name2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate
SMILESCc1cc(OCC(=O)[O-])cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO5S/c1-6-3-8(16-5-9(12)13)4-7(2)10(6)17(11,14)15/h3-4H,5H2,1-2H3,(H,12,13)/p-1
InChIKeyKJNSDBCIWPDTGL-UHFFFAOYSA-M
XLogP0.36
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyethylamino)-2-oxoethoxy]-2,6-dimethylbenzenesulfonyl chloride
CID 82911967
4-[2-(2-cyanoethylamino)-2-oxoethoxy]-2,6-dimethylbenzenesulfonyl chloride
CID 82912151
lithium 2-(4-methylphenoxy)acetate
CID 19205665
4-(1-amino-1-oxobutan-2-yl)oxy-2,6-dimethylbenzenesulfonyl chloride
CID 82921535
2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911972
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,6-dimethylbenzenesulfonyl chloride
CID 79562208
2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163326
4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
CID 3868506
2,6-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonyl chloride
CID 65163378
lithium 2-(2-methylphenoxy)acetate
CID 19205696
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate?
The IUPAC name of 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate (CID 22479344) is 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate.
What is the SMILES notation for 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate?
The canonical SMILES for 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate is Cc1cc(OCC(=O)[O-])cc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate?
The InChIKey is KJNSDBCIWPDTGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11ClO5S/c1-6-3-8(16-5-9(12)13)4-7(2)10(6)17(11,14)15/h3-4H,5H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate?
2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate has a molecular weight of 277.71 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorosulfonyl-3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 22479344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).