N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide

C20H16BrNO4S — CID 100743808

IUPACN-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BrNO4S/c1-26-18-12-11-15(21)13-19(18)27(24,25)22-17-10-6-5-9-16(17)20(23)14-7-3-2-4-8-14/h2-13,22H,1H3
InChIKeyAPOZCDNWVAMXPB-UHFFFAOYSA-N
MW446.32 g/mol
LogP4.49
Rot. Bonds6

About N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide

N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide (PubChem CID 100743808) has the molecular formula C20H16BrNO4S and a molecular weight of 446.32 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
PubChem CID100743808
Molecular FormulaC20H16BrNO4S
Molecular Weight446.32 g/mol
Exact Mass445.00
IUPAC NameN-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BrNO4S/c1-26-18-12-11-15(21)13-19(18)27(24,25)22-17-10-6-5-9-16(17)20(23)14-7-3-2-4-8-14/h2-13,22H,1H3
InChIKeyAPOZCDNWVAMXPB-UHFFFAOYSA-N
XLogP4.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide 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

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 133228042
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
CID 11212994
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide (CID 100743808) is N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide?
The InChIKey is APOZCDNWVAMXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO4S/c1-26-18-12-11-15(21)13-19(18)27(24,25)22-17-10-6-5-9-16(17)20(23)14-7-3-2-4-8-14/h2-13,22H,1H3.
What are the key properties of N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide?
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide has a molecular weight of 446.32 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 100743808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).