2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide

C17H18BrFN2O3S — CID 26579182

IUPAC2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H18BrFN2O3S/c1-17(2,3)21-25(23,24)13-7-8-15(18)14(10-13)16(22)20-12-6-4-5-11(19)9-12/h4-10,21H,1-3H3,(H,20,22)
InChIKeyJTEBQPPFWFHDGV-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.92
Rot. Bonds4

About 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide

2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide (PubChem CID 26579182) has the molecular formula C17H18BrFN2O3S and a molecular weight of 429.31 g/mol. Its IUPAC name is 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
PubChem CID26579182
Molecular FormulaC17H18BrFN2O3S
Molecular Weight429.31 g/mol
Exact Mass428.02
IUPAC Name2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H18BrFN2O3S/c1-17(2,3)21-25(23,24)13-7-8-15(18)14(10-13)16(22)20-12-6-4-5-11(19)9-12/h4-10,21H,1-3H3,(H,20,22)
InChIKeyJTEBQPPFWFHDGV-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38259281
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 32896855
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
2-bromo-5-(tert-butylsulfamoyl)-N-prop-2-ynylbenzamide
CID 32693294
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 32537367
N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide
CID 1306785
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide (CID 26579182) is 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide is CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide?
The InChIKey is JTEBQPPFWFHDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3S/c1-17(2,3)21-25(23,24)13-7-8-15(18)14(10-13)16(22)20-12-6-4-5-11(19)9-12/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide?
2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide has a molecular weight of 429.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 26579182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).