2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide

C13H10BrFN2O3S — CID 9035116

IUPAC2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C13H10BrFN2O3S/c14-12-6-1-8(15)7-11(12)13(18)17-9-2-4-10(5-3-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyNOYIZGVAVUYOOG-UHFFFAOYSA-N
MW373.20 g/mol
LogP2.49
Rot. Bonds3

About 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide

2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 9035116) has the molecular formula C13H10BrFN2O3S and a molecular weight of 373.20 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
PubChem CID9035116
Molecular FormulaC13H10BrFN2O3S
Molecular Weight373.20 g/mol
Exact Mass371.96
IUPAC Name2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C13H10BrFN2O3S/c14-12-6-1-8(15)7-11(12)13(18)17-9-2-4-10(5-3-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyNOYIZGVAVUYOOG-UHFFFAOYSA-N
XLogP2.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
CID 51127237
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide (CID 9035116) is 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is NOYIZGVAVUYOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3S/c14-12-6-1-8(15)7-11(12)13(18)17-9-2-4-10(5-3-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide?
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 373.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 9035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).