methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate

C9H10ClNO5S — CID 70527537

IUPACmethyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H10ClNO5S/c1-15-9(12)5-16-7-3-2-6(10)4-8(7)17(11,13)14/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKeyPIBHUGFRIARRAJ-UHFFFAOYSA-N
MW279.70 g/mol
LogP0.54
Rot. Bonds4

About methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate

methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate (PubChem CID 70527537) has the molecular formula C9H10ClNO5S and a molecular weight of 279.70 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
PubChem CID70527537
Molecular FormulaC9H10ClNO5S
Molecular Weight279.70 g/mol
Exact Mass279.00
IUPAC Namemethyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H10ClNO5S/c1-15-9(12)5-16-7-3-2-6(10)4-8(7)17(11,13)14/h2-4H,5H2,1H3,(H2,11,13,14)
InChIKeyPIBHUGFRIARRAJ-UHFFFAOYSA-N
XLogP0.54
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-sulfamoylphenoxy)acetate
CID 15702321
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
CID 82917275
5-chloro-2-(4-cyano-4-methylpentoxy)benzenesulfonamide
CID 82914643
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate?
The IUPAC name of methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate (CID 70527537) is methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate is COC(=O)COc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate?
The InChIKey is PIBHUGFRIARRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO5S/c1-15-9(12)5-16-7-3-2-6(10)4-8(7)17(11,13)14/h2-4H,5H2,1H3,(H2,11,13,14).
What are the key properties of methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate?
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate has a molecular weight of 279.70 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate is sourced from PubChem (CID 70527537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).