3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C17H19BrN2O4S — CID 27648289

IUPAC3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)cc1Br
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)19-17(21)12-5-4-6-14(9-12)25(22,23)20-13-7-8-16(24-3)15(18)10-13/h4-11,20H,1-3H3,(H,19,21)
InChIKeyZTDGZLJEPJQBOY-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.40
Rot. Bonds6

About 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 27648289) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID27648289
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)cc1Br
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)19-17(21)12-5-4-6-14(9-12)25(22,23)20-13-7-8-16(24-3)15(18)10-13/h4-11,20H,1-3H3,(H,19,21)
InChIKeyZTDGZLJEPJQBOY-UHFFFAOYSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromo-4-methoxyphenyl)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

N-(3-bromo-4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 55346284
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 27648289) is 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is ZTDGZLJEPJQBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-11(2)19-17(21)12-5-4-6-14(9-12)25(22,23)20-13-7-8-16(24-3)15(18)10-13/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 427.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 27648289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).