2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

C24H26BrN3O4S — CID 4195720

IUPAC2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C24H26BrN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29)
InChIKeyGHCQADBLCQGQIC-UHFFFAOYSA-N
MW532.46 g/mol
LogP5.36
Rot. Bonds9

About 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 4195720) has the molecular formula C24H26BrN3O4S and a molecular weight of 532.46 g/mol. Its IUPAC name is 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID4195720
Molecular FormulaC24H26BrN3O4S
Molecular Weight532.46 g/mol
Exact Mass531.08
IUPAC Name2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C24H26BrN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29)
InChIKeyGHCQADBLCQGQIC-UHFFFAOYSA-N
XLogP5.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.46
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide 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-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
T5247935
CID 5216904
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2404318
N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]benzamide
CID 2987928
5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 3360601
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3985673
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 4010960
4-(azepan-1-ylsulfonyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]benzamide
CID 4190613
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4361244
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 4518002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 4195720) is 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide is CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC.
What is the InChIKey of 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is GHCQADBLCQGQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29).
What are the key properties of 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 532.46 g/mol, XLogP of 5.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4195720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).