N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide

C20H12BrCl2F3N2O3S — CID 4170548

IUPACN-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C20H12BrCl2F3N2O3S/c21-14-6-11(24)7-18(26)19(14)28-20(29)13-8-12(2-4-17(13)25)32(30,31)27-9-10-1-3-15(22)16(23)5-10/h1-8,27H,9H2,(H,28,29)
InChIKeyCUOGEXYHVFOFOV-UHFFFAOYSA-N
MW568.20 g/mol
LogP5.90
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide

N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide (PubChem CID 4170548) has the molecular formula C20H12BrCl2F3N2O3S and a molecular weight of 568.20 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide
PubChem CID4170548
Molecular FormulaC20H12BrCl2F3N2O3S
Molecular Weight568.20 g/mol
Exact Mass565.91
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)ccc1F
InChIInChI=1S/C20H12BrCl2F3N2O3S/c21-14-6-11(24)7-18(26)19(14)28-20(29)13-8-12(2-4-17(13)25)32(30,31)27-9-10-1-3-15(22)16(23)5-10/h1-8,27H,9H2,(H,28,29)
InChIKeyCUOGEXYHVFOFOV-UHFFFAOYSA-N
XLogP5.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.20
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide with MolForge

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Related Compounds

2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 5001901
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
N-(2-bromo-4,6-difluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 4170549
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide (CID 4170548) is N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide is O=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)ccc1F.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide?
The InChIKey is CUOGEXYHVFOFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrCl2F3N2O3S/c21-14-6-11(24)7-18(26)19(14)28-20(29)13-8-12(2-4-17(13)25)32(30,31)27-9-10-1-3-15(22)16(23)5-10/h1-8,27H,9H2,(H,28,29).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide?
N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide has a molecular weight of 568.20 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 4170548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).