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

C15H15BrN2O4S — CID 26676757

IUPAC2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C15H15BrN2O4S/c16-14-7-6-12(23(17,20)21)10-13(14)15(19)18-8-9-22-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21)
InChIKeyJDQHPMLCKDAIRD-UHFFFAOYSA-N
MW399.27 g/mol
LogP1.91
Rot. Bonds6

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

2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide (PubChem CID 26676757) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
PubChem CID26676757
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C15H15BrN2O4S/c16-14-7-6-12(23(17,20)21)10-13(14)15(19)18-8-9-22-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21)
InChIKeyJDQHPMLCKDAIRD-UHFFFAOYSA-N
XLogP1.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.91
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

2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
CID 25336077
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 8569114
2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
CID 9414471
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
2-bromo-N-(3-methylsulfinylbutyl)-5-sulfamoylbenzamide
CID 115729445
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
N-[3-(azepan-1-yl)propyl]-2-bromo-5-sulfamoylbenzamide
CID 134057435
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide (CID 26676757) is 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)NCCOc2ccccc2)c1.
What is the InChIKey of 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is JDQHPMLCKDAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c16-14-7-6-12(23(17,20)21)10-13(14)15(19)18-8-9-22-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H2,17,20,21).
What are the key properties of 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide?
2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 399.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 26676757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).