N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide

C20H16BrNO4S — CID 11212994

IUPACN-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrNO4S/c1-26-16-8-10-17(11-9-16)27(24,25)22-19-13-15(21)7-12-18(19)20(23)14-5-3-2-4-6-14/h2-13,22H,1H3
InChIKeySNSQYSUMKUXJTJ-UHFFFAOYSA-N
MW446.32 g/mol
LogP4.49
Rot. Bonds6

About N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide

N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide (PubChem CID 11212994) has the molecular formula C20H16BrNO4S and a molecular weight of 446.32 g/mol. Its IUPAC name is N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
PubChem CID11212994
Molecular FormulaC20H16BrNO4S
Molecular Weight446.32 g/mol
Exact Mass445.00
IUPAC NameN-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16BrNO4S/c1-26-16-8-10-17(11-9-16)27(24,25)22-19-13-15(21)7-12-18(19)20(23)14-5-3-2-4-6-14/h2-13,22H,1H3
InChIKeySNSQYSUMKUXJTJ-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-benzoyl-5-bromophenyl)-4-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

N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
ethane;N-[2-(1-methoxypyridin-1-ium-3-carbonyl)-4,5-dimethylphenyl]benzenesulfonamide
CID 123915325
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
2-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 70053519
2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
CID 4500110

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide (CID 11212994) is N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is SNSQYSUMKUXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO4S/c1-26-16-8-10-17(11-9-16)27(24,25)22-19-13-15(21)7-12-18(19)20(23)14-5-3-2-4-6-14/h2-13,22H,1H3.
What are the key properties of N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide?
N-(2-benzoyl-5-bromophenyl)-4-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-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 11212994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).