3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C17H19BrN2O3S — CID 26498995

IUPAC3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-11(2)19-17(21)13-5-4-6-14(10-13)24(22,23)20-16-9-12(3)7-8-15(16)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyFBWFHUFQXXXGFT-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.70
Rot. Bonds5

About 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 26498995) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID26498995
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-11(2)19-17(21)13-5-4-6-14(10-13)24(22,23)20-16-9-12(3)7-8-15(16)18/h4-11,20H,1-3H3,(H,19,21)
InChIKeyFBWFHUFQXXXGFT-UHFFFAOYSA-N
XLogP3.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide 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

3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
CID 43007132
N-(2-bromo-5-methylphenyl)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24536114
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 31399135
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55386926

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 26498995) is 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is FBWFHUFQXXXGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-11(2)19-17(21)13-5-4-6-14(10-13)24(22,23)20-16-9-12(3)7-8-15(16)18/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 411.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 26498995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).