5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

C16H12BrN5O3S — CID 1084477

IUPAC5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cncc(Br)c1
InChIInChI=1S/C16H12BrN5O3S/c17-12-8-11(9-18-10-12)15(23)21-13-2-4-14(5-3-13)26(24,25)22-16-19-6-1-7-20-16/h1-10H,(H,21,23)(H,19,20,22)
InChIKeySWXFQIPZBQMJLM-UHFFFAOYSA-N
MW434.28 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 1084477) has the molecular formula C16H12BrN5O3S and a molecular weight of 434.28 g/mol. Its IUPAC name is 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID1084477
Molecular FormulaC16H12BrN5O3S
Molecular Weight434.28 g/mol
Exact Mass432.98
IUPAC Name5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cncc(Br)c1
InChIInChI=1S/C16H12BrN5O3S/c17-12-8-11(9-18-10-12)15(23)21-13-2-4-14(5-3-13)26(24,25)22-16-19-6-1-7-20-16/h1-10H,(H,21,23)(H,19,20,22)
InChIKeySWXFQIPZBQMJLM-UHFFFAOYSA-N
XLogP2.69
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)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-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 1084477) is 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SWXFQIPZBQMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O3S/c17-12-8-11(9-18-10-12)15(23)21-13-2-4-14(5-3-13)26(24,25)22-16-19-6-1-7-20-16/h1-10H,(H,21,23)(H,19,20,22).
What are the key properties of 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 434.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).