3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide

C22H20BrFN2O3S — CID 76901302

IUPAC3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
SMILESCc1cc(F)ccc1N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H20BrFN2O3S/c1-15-13-18(24)9-12-21(15)25(2)22(27)16-5-4-6-20(14-16)30(28,29)26(3)19-10-7-17(23)8-11-19/h4-14H,1-3H3
InChIKeyROEOWNYSOAUXIH-UHFFFAOYSA-N
MW491.38 g/mol
LogP5.00
Rot. Bonds5

About 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide

3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide (PubChem CID 76901302) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
PubChem CID76901302
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC Name3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
SMILESCc1cc(F)ccc1N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H20BrFN2O3S/c1-15-13-18(24)9-12-21(15)25(2)22(27)16-5-4-6-20(14-16)30(28,29)26(3)19-10-7-17(23)8-11-19/h4-14H,1-3H3
InChIKeyROEOWNYSOAUXIH-UHFFFAOYSA-N
XLogP5.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide 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-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 70685342
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
3-[2-(4-bromo-2-fluorophenyl)acetyl]-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
CID 148963932
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
CID 90342470
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 60575082
N-(4-bromo-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 60575146
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
CID 68946402

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide?
The IUPAC name of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide (CID 76901302) is 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide?
The canonical SMILES for 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide is Cc1cc(F)ccc1N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide?
The InChIKey is ROEOWNYSOAUXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-15-13-18(24)9-12-21(15)25(2)22(27)16-5-4-6-20(14-16)30(28,29)26(3)19-10-7-17(23)8-11-19/h4-14H,1-3H3.
What are the key properties of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide?
3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide has a molecular weight of 491.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide is sourced from PubChem (CID 76901302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).