2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide

C10H13BrN2O4S — CID 82914401

IUPAC2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C10H13BrN2O4S/c1-2-13-10(14)6-17-8-4-3-7(11)5-9(8)18(12,15)16/h3-5H,2,6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyMSELEBJBOZYFDC-UHFFFAOYSA-N
MW337.20 g/mol
LogP0.61
Rot. Bonds5

About 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide

2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide (PubChem CID 82914401) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
PubChem CID82914401
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C10H13BrN2O4S/c1-2-13-10(14)6-17-8-4-3-7(11)5-9(8)18(12,15)16/h3-5H,2,6H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyMSELEBJBOZYFDC-UHFFFAOYSA-N
XLogP0.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
CID 82915317
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293
5-bromo-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910923
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide (CID 82914401) is 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide?
The InChIKey is MSELEBJBOZYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-2-13-10(14)6-17-8-4-3-7(11)5-9(8)18(12,15)16/h3-5H,2,6H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide?
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide has a molecular weight of 337.20 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 82914401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).