N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide

C15H15BrN2O4S — CID 7938360

IUPACN-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O4S/c1-10(19)17-12-6-7-15(22-2)14(9-12)18-23(20,21)13-5-3-4-11(16)8-13/h3-9,18H,1-2H3,(H,17,19)
InChIKeyKMHRMMVJLWYSDD-UHFFFAOYSA-N
MW399.27 g/mol
LogP3.22
Rot. Bonds5

About N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide

N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide (PubChem CID 7938360) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
PubChem CID7938360
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC NameN-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O4S/c1-10(19)17-12-6-7-15(22-2)14(9-12)18-23(20,21)13-5-3-4-11(16)8-13/h3-9,18H,1-2H3,(H,17,19)
InChIKeyKMHRMMVJLWYSDD-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]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-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-[4-[(5-bromo-2-methoxyphenyl)sulfamoyl]-3,5-dimethylphenyl]acetamide
CID 60533341
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide (CID 7938360) is N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The InChIKey is KMHRMMVJLWYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-10(19)17-12-6-7-15(22-2)14(9-12)18-23(20,21)13-5-3-4-11(16)8-13/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide has a molecular weight of 399.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 7938360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).