1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C22H17BrN4O5S — CID 67063552

IUPAC1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(Br)c1NC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17BrN4O5S/c23-15-9-4-10-16(33(24,31)32)18(15)26-21(29)17-19(28)14-8-5-11-25-20(14)27(22(17)30)12-13-6-2-1-3-7-13/h1-11,28H,12H2,(H,26,29)(H2,24,31,32)
InChIKeyYVDZYJWFJUIBDX-UHFFFAOYSA-N
MW529.37 g/mol
LogP2.81
Rot. Bonds5

About 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 67063552) has the molecular formula C22H17BrN4O5S and a molecular weight of 529.37 g/mol. Its IUPAC name is 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID67063552
Molecular FormulaC22H17BrN4O5S
Molecular Weight529.37 g/mol
Exact Mass528.01
IUPAC Name1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(Br)c1NC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17BrN4O5S/c23-15-9-4-10-16(33(24,31)32)18(15)26-21(29)17-19(28)14-8-5-11-25-20(14)27(22(17)30)12-13-6-2-1-3-7-13/h1-11,28H,12H2,(H,26,29)(H2,24,31,32)
InChIKeyYVDZYJWFJUIBDX-UHFFFAOYSA-N
XLogP2.81
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 67063552) is 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is NS(=O)(=O)c1cccc(Br)c1NC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is YVDZYJWFJUIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O5S/c23-15-9-4-10-16(33(24,31)32)18(15)26-21(29)17-19(28)14-8-5-11-25-20(14)27(22(17)30)12-13-6-2-1-3-7-13/h1-11,28H,12H2,(H,26,29)(H2,24,31,32).
What are the key properties of 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 529.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 67063552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).