N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide

C22H17BrN4O5S — CID 67371106

IUPACN-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(Br)ccc1N(Cc1ccccc1)C(=O)c1c(O)c2cccnc2[nH]c1=O
InChIInChI=1S/C22H17BrN4O5S/c23-14-8-9-16(17(11-14)33(24,31)32)27(12-13-5-2-1-3-6-13)22(30)18-19(28)15-7-4-10-25-20(15)26-21(18)29/h1-11H,12H2,(H2,24,31,32)(H2,25,26,28,29)
InChIKeyZOEOBVFICOXMKO-UHFFFAOYSA-N
MW529.37 g/mol
LogP2.89
Rot. Bonds5

About N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide

N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 67371106) has the molecular formula C22H17BrN4O5S and a molecular weight of 529.37 g/mol. Its IUPAC name is N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID67371106
Molecular FormulaC22H17BrN4O5S
Molecular Weight529.37 g/mol
Exact Mass528.01
IUPAC NameN-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(Br)ccc1N(Cc1ccccc1)C(=O)c1c(O)c2cccnc2[nH]c1=O
InChIInChI=1S/C22H17BrN4O5S/c23-14-8-9-16(17(11-14)33(24,31)32)27(12-13-5-2-1-3-6-13)22(30)18-19(28)15-7-4-10-25-20(15)26-21(18)29/h1-11H,12H2,(H2,24,31,32)(H2,25,26,28,29)
InChIKeyZOEOBVFICOXMKO-UHFFFAOYSA-N
XLogP2.89
TPSA146.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-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 N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 67371106) is N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide is NS(=O)(=O)c1cc(Br)ccc1N(Cc1ccccc1)C(=O)c1c(O)c2cccnc2[nH]c1=O.
What is the InChIKey of N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZOEOBVFICOXMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O5S/c23-14-8-9-16(17(11-14)33(24,31)32)27(12-13-5-2-1-3-6-13)22(30)18-19(28)15-7-4-10-25-20(15)26-21(18)29/h1-11H,12H2,(H2,24,31,32)(H2,25,26,28,29).
What are the key properties of N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 529.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 67371106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).