5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C19H16BrN3O4S — CID 4267343

IUPAC5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C19H16BrN3O4S/c1-27-18-8-3-2-7-17(18)23-28(25,26)16-6-4-5-15(10-16)22-19(24)13-9-14(20)12-21-11-13/h2-12,23H,1H3,(H,22,24)
InChIKeyRKZXKZDUFWNPIO-UHFFFAOYSA-N
MW462.33 g/mol
LogP3.91
Rot. Bonds6

About 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 4267343) has the molecular formula C19H16BrN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID4267343
Molecular FormulaC19H16BrN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.00
IUPAC Name5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C19H16BrN3O4S/c1-27-18-8-3-2-7-17(18)23-28(25,26)16-6-4-5-15(10-16)22-19(24)13-9-14(20)12-21-11-13/h2-12,23H,1H3,(H,22,24)
InChIKeyRKZXKZDUFWNPIO-UHFFFAOYSA-N
XLogP3.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 4267343) is 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RKZXKZDUFWNPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4S/c1-27-18-8-3-2-7-17(18)23-28(25,26)16-6-4-5-15(10-16)22-19(24)13-9-14(20)12-21-11-13/h2-12,23H,1H3,(H,22,24).
What are the key properties of 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 462.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4267343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).