N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C22H20BrFN2O3S — CID 126320797

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccccc2C)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-15-7-10-18(11-8-15)30(28,29)26(21-6-4-3-5-16(21)2)14-22(27)25-20-12-9-17(23)13-19(20)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyGNYYRTPPAFWEQJ-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.04
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126320797) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126320797
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccccc2C)cc1
InChIInChI=1S/C22H20BrFN2O3S/c1-15-7-10-18(11-8-15)30(28,29)26(21-6-4-3-5-16(21)2)14-22(27)25-20-12-9-17(23)13-19(20)24/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyGNYYRTPPAFWEQJ-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide 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-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
N-(4-iodo-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1210644
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
N-(4-bromo-2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126320797) is N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccccc2C)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is GNYYRTPPAFWEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-15-7-10-18(11-8-15)30(28,29)26(21-6-4-3-5-16(21)2)14-22(27)25-20-12-9-17(23)13-19(20)24/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 491.38 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126320797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).