3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid

C9H9Cl2NO5S — CID 43164622

IUPAC3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid
SMILESNS(=O)(=O)c1cc(Cl)c(OCCC(=O)O)cc1Cl
InChIInChI=1S/C9H9Cl2NO5S/c10-5-4-8(18(12,15)16)6(11)3-7(5)17-2-1-9(13)14/h3-4H,1-2H2,(H,13,14)(H2,12,15,16)
InChIKeyZWFZYYYDJDUQGG-UHFFFAOYSA-N
MW314.15 g/mol
LogP1.49
Rot. Bonds5

About 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid

3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid (PubChem CID 43164622) has the molecular formula C9H9Cl2NO5S and a molecular weight of 314.15 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid
PubChem CID43164622
Molecular FormulaC9H9Cl2NO5S
Molecular Weight314.15 g/mol
Exact Mass312.96
IUPAC Name3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid
SMILESNS(=O)(=O)c1cc(Cl)c(OCCC(=O)O)cc1Cl
InChIInChI=1S/C9H9Cl2NO5S/c10-5-4-8(18(12,15)16)6(11)3-7(5)17-2-1-9(13)14/h3-4H,1-2H2,(H,13,14)(H2,12,15,16)
InChIKeyZWFZYYYDJDUQGG-UHFFFAOYSA-N
XLogP1.49
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-sulfamoylphenoxy)propanoic acid
CID 63841156
2,5-dichloro-4-pent-3-ynoxybenzenesulfonamide
CID 104808576
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877
4-(4-bromo-2,5-dichlorophenoxy)butanoic acid
CID 22687414
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
2-(2,5-dichloro-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
CID 82914905
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
CID 43342428
4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide
CID 43342571

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid?
The IUPAC name of 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid (CID 43164622) is 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid?
The canonical SMILES for 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid is NS(=O)(=O)c1cc(Cl)c(OCCC(=O)O)cc1Cl.
What is the InChIKey of 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid?
The InChIKey is ZWFZYYYDJDUQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO5S/c10-5-4-8(18(12,15)16)6(11)3-7(5)17-2-1-9(13)14/h3-4H,1-2H2,(H,13,14)(H2,12,15,16).
What are the key properties of 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid?
3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid has a molecular weight of 314.15 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid is sourced from PubChem (CID 43164622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).