2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide

C14H13BrN2O3S — CID 1150876

IUPAC2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyOECAUBIYLAWPHA-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.03
Rot. Bonds4

About 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide

2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 1150876) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID1150876
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyOECAUBIYLAWPHA-UHFFFAOYSA-N
XLogP2.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60553703
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
CID 90070509
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 44775847
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103328
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 1150876) is 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is OECAUBIYLAWPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide?
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 369.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 1150876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).