2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide

C16H12BrClN4O3S — CID 154873489

IUPAC2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3ccc(Cl)nc3n2)c1
InChIInChI=1S/C16H12BrClN4O3S/c1-19-26(24,25)10-4-5-12(17)11(8-10)16(23)22-14-7-3-9-2-6-13(18)20-15(9)21-14/h2-8,19H,1H3,(H,20,21,22,23)
InChIKeyZQGLMVAGLCLXCI-UHFFFAOYSA-N
MW455.72 g/mol
LogP3.21
Rot. Bonds4

About 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide

2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide (PubChem CID 154873489) has the molecular formula C16H12BrClN4O3S and a molecular weight of 455.72 g/mol. Its IUPAC name is 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
PubChem CID154873489
Molecular FormulaC16H12BrClN4O3S
Molecular Weight455.72 g/mol
Exact Mass453.95
IUPAC Name2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3ccc(Cl)nc3n2)c1
InChIInChI=1S/C16H12BrClN4O3S/c1-19-26(24,25)10-4-5-12(17)11(8-10)16(23)22-14-7-3-9-2-6-13(18)20-15(9)21-14/h2-8,19H,1H3,(H,20,21,22,23)
InChIKeyZQGLMVAGLCLXCI-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.72
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
CID 9296499
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(8-bromoquinolin-2-yl)-2-chloro-5-sulfamoylbenzamide
CID 167865900
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
CID 134050397
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 32896855
2-bromo-5-(methylsulfamoyl)-N-(3-oxo-1H-isoindol-2-yl)benzamide
CID 154860806
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide (CID 154873489) is 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3ccc(Cl)nc3n2)c1.
What is the InChIKey of 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide?
The InChIKey is ZQGLMVAGLCLXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O3S/c1-19-26(24,25)10-4-5-12(17)11(8-10)16(23)22-14-7-3-9-2-6-13(18)20-15(9)21-14/h2-8,19H,1H3,(H,20,21,22,23).
What are the key properties of 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide?
2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide has a molecular weight of 455.72 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(7-chloro-1,8-naphthyridin-2-yl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 154873489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).