2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

C16H16BrFN2O3S — CID 9188165

IUPAC2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-10(2)20-24(22,23)13-6-4-12(5-7-13)19-16(21)14-8-3-11(18)9-15(14)17/h3-10,20H,1-2H3,(H,19,21)
InChIKeySOQUTUSXLKRLOX-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.53
Rot. Bonds5

About 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 9188165) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID9188165
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC Name2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrFN2O3S/c1-10(2)20-24(22,23)13-6-4-12(5-7-13)19-16(21)14-8-3-11(18)9-15(14)17/h3-10,20H,1-2H3,(H,19,21)
InChIKeySOQUTUSXLKRLOX-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-iodo-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 38920434
2-bromo-4-fluoro-N-phenylbenzamide
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2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
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2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
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2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 9188165) is 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is SOQUTUSXLKRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-10(2)20-24(22,23)13-6-4-12(5-7-13)19-16(21)14-8-3-11(18)9-15(14)17/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9188165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).