2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide

C10H12Cl2N2O4S — CID 82913877

IUPAC2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H12Cl2N2O4S/c1-2-14-10(15)5-18-8-3-7(12)9(4-6(8)11)19(13,16)17/h3-4H,2,5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyRGHYFKBMOCGKSF-UHFFFAOYSA-N
MW327.19 g/mol
LogP1.16
Rot. Bonds5

About 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide

2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide (PubChem CID 82913877) has the molecular formula C10H12Cl2N2O4S and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
PubChem CID82913877
Molecular FormulaC10H12Cl2N2O4S
Molecular Weight327.19 g/mol
Exact Mass325.99
IUPAC Name2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H12Cl2N2O4S/c1-2-14-10(15)5-18-8-3-7(12)9(4-6(8)11)19(13,16)17/h3-4H,2,5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyRGHYFKBMOCGKSF-UHFFFAOYSA-N
XLogP1.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
2,5-dichloro-4-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
CID 82910233
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid
CID 43164622
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
CID 82915317
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120653226
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide (CID 82913877) is 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide is CCNC(=O)COc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide?
The InChIKey is RGHYFKBMOCGKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O4S/c1-2-14-10(15)5-18-8-3-7(12)9(4-6(8)11)19(13,16)17/h3-4H,2,5H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide?
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide has a molecular weight of 327.19 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 82913877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).