N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide

C21H18BrFN2O3S — CID 4193197

IUPACN-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C21H18BrFN2O3S/c1-14-2-4-15(5-3-14)13-24-29(27,28)18-10-11-20(23)19(12-18)21(26)25-17-8-6-16(22)7-9-17/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyUHWFFABABXOEJF-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.63
Rot. Bonds6

About N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide

N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 4193197) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
PubChem CID4193197
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC NameN-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C21H18BrFN2O3S/c1-14-2-4-15(5-3-14)13-24-29(27,28)18-10-11-20(23)19(12-18)21(26)25-17-8-6-16(22)7-9-17/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyUHWFFABABXOEJF-UHFFFAOYSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 5044331
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4169421
2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 5056641
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide (CID 4193197) is N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide is Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is UHWFFABABXOEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c1-14-2-4-15(5-3-14)13-24-29(27,28)18-10-11-20(23)19(12-18)21(26)25-17-8-6-16(22)7-9-17/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide?
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 477.36 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4193197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).