3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide

C17H19BrN2O4S — CID 26500853

IUPAC3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C17H19BrN2O4S/c1-12-6-7-15(18)16(10-12)20-25(22,23)14-5-3-4-13(11-14)17(21)19-8-9-24-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyLVWDNOGEARJJMC-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.93
Rot. Bonds7

About 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide (PubChem CID 26500853) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
PubChem CID26500853
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C17H19BrN2O4S/c1-12-6-7-15(18)16(10-12)20-25(22,23)14-5-3-4-13(11-14)17(21)19-8-9-24-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyLVWDNOGEARJJMC-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.93
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

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
CID 43007132
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 31399135
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide (CID 26500853) is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is LVWDNOGEARJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-12-6-7-15(18)16(10-12)20-25(22,23)14-5-3-4-13(11-14)17(21)19-8-9-24-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide?
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 427.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 26500853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).