1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide

C22H17BrN4O5S — CID 91061653

IUPAC1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(Br)ccc1NC(=O)c1c(O)c2ncccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17BrN4O5S/c23-14-8-9-15(17(11-14)33(24,31)32)26-21(29)18-20(28)19-16(7-4-10-25-19)27(22(18)30)12-13-5-2-1-3-6-13/h1-11,28H,12H2,(H,26,29)(H2,24,31,32)
InChIKeyCZTHLDZDTAQJAG-UHFFFAOYSA-N
MW529.37 g/mol
LogP2.81
Rot. Bonds5

About 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide

1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 91061653) has the molecular formula C22H17BrN4O5S and a molecular weight of 529.37 g/mol. Its IUPAC name is 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID91061653
Molecular FormulaC22H17BrN4O5S
Molecular Weight529.37 g/mol
Exact Mass528.01
IUPAC Name1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(Br)ccc1NC(=O)c1c(O)c2ncccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17BrN4O5S/c23-14-8-9-15(17(11-14)33(24,31)32)26-21(29)18-20(28)19-16(7-4-10-25-19)27(22(18)30)12-13-5-2-1-3-6-13/h1-11,28H,12H2,(H,26,29)(H2,24,31,32)
InChIKeyCZTHLDZDTAQJAG-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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Related Compounds

1-benzyl-3-(7-bromo-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2(1H)-one
CID 135507319
3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-pyridin-2-ylmethyl-1H-quinolin-2-one
CID 135542946
N-[2-(dimethylsulfamoyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 69710023
4-Hydroxy-2-oxo-1-pyridin-2-ylmethyl-1,2-dihydroquinolin-3-carboxylic acid (2-sulfamoylphenyl)-amide
CID 54715311
1-benzyl-N-(2-bromo-6-sulfamoylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 67063552
N-[2-(aminosulfonyl)-4-bromophenyl]-1-benzyl-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 67063612
N-[2-(aminosulfonyl)pyridin-3-yl]-1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 67063771
1-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoylphenyl)-1,5-naphthyridine-3-carboxamide
CID 67063847
N-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 67371106
N-benzyl-4-hydroxy-2-oxo-N-(2-sulfamoyl-3-pyridinyl)-1H-quinoline-3-carboxamide
CID 67373389
1-benzyl-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,7-naphthyridin-2-one
CID 135525376
1-butyl-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,5-naphthyridin-2-one
CID 135543723

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (CID 91061653) is 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is NS(=O)(=O)c1cc(Br)ccc1NC(=O)c1c(O)c2ncccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is CZTHLDZDTAQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O5S/c23-14-8-9-15(17(11-14)33(24,31)32)26-21(29)18-20(28)19-16(7-4-10-25-19)27(22(18)30)12-13-5-2-1-3-6-13/h1-11,28H,12H2,(H,26,29)(H2,24,31,32).
What are the key properties of 1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
1-benzyl-N-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-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-(4-bromo-2-sulfamoylphenyl)-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 91061653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).