2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C10H13BrN2O4S — CID 31540706

IUPAC2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C10H13BrN2O4S/c1-17-5-4-13-10(14)8-6-7(18(12,15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDAWGOBKSHPHJLW-UHFFFAOYSA-N
MW337.20 g/mol
LogP0.47
Rot. Bonds5

About 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide

2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 31540706) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID31540706
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C10H13BrN2O4S/c1-17-5-4-13-10(14)8-6-7(18(12,15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDAWGOBKSHPHJLW-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 26676757
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
methyl 2-bromo-5-sulfamoylbenzoate
CID 43828340
2-bromo-N-(3-methylsulfinylbutyl)-5-sulfamoylbenzamide
CID 115729445
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
N-[3-(azepan-1-yl)propyl]-2-bromo-5-sulfamoylbenzamide
CID 134057435
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
CID 25336077
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 31540706) is 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is DAWGOBKSHPHJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-17-5-4-13-10(14)8-6-7(18(12,15)16)2-3-9(8)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 337.20 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 31540706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).