4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide

C17H19BrN2O3S — CID 26409361

IUPAC4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-11-7-12(2)9-14(8-11)19-17(21)13-5-6-15(18)16(10-13)24(22,23)20(3)4/h5-10H,1-4H3,(H,19,21)
InChIKeyRKALIKCAQDLGAS-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide

4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 26409361) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID26409361
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-11-7-12(2)9-14(8-11)19-17(21)13-5-6-15(18)16(10-13)24(22,23)20(3)4/h5-10H,1-4H3,(H,19,21)
InChIKeyRKALIKCAQDLGAS-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide 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

4-bromo-3-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]benzamide
CID 55706130
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792846
4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55857285
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901716
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 26775018
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 24582523
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide (CID 26409361) is 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is RKALIKCAQDLGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-11-7-12(2)9-14(8-11)19-17(21)13-5-6-15(18)16(10-13)24(22,23)20(3)4/h5-10H,1-4H3,(H,19,21).
What are the key properties of 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26409361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).