N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide

C22H20BrFN2O3S — CID 4119863

IUPACN-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C22H20BrFN2O3S/c1-3-26(16-8-6-7-15(2)13-16)30(28,29)17-11-12-20(24)18(14-17)22(27)25-21-10-5-4-9-19(21)23/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyIXOWWJFQFXIRGE-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.36
Rot. Bonds6

About N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide

N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide (PubChem CID 4119863) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
PubChem CID4119863
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC NameN-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C22H20BrFN2O3S/c1-3-26(16-8-6-7-15(2)13-16)30(28,29)17-11-12-20(24)18(14-17)22(27)25-21-10-5-4-9-19(21)23/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyIXOWWJFQFXIRGE-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4136787
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
5-[cyclohexen-1-yl(ethyl)sulfamoyl]-N-(3,5-dimethylphenyl)-2-fluorobenzamide
CID 90284669
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
N-(2-bromophenyl)-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132667710

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The IUPAC name of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide (CID 4119863) is N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The canonical SMILES for N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The InChIKey is IXOWWJFQFXIRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-3-26(16-8-6-7-15(2)13-16)30(28,29)17-11-12-20(24)18(14-17)22(27)25-21-10-5-4-9-19(21)23/h4-14H,3H2,1-2H3,(H,25,27).
What are the key properties of N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide has a molecular weight of 491.38 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 4119863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).