N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide

C17H16BrN5O4S — CID 25023746

IUPACN-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)nc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN5O4S/c1-10-4-6-14(23(24)25)8-15(10)28(26,27)21-20-12(3)17-11(2)19-16-7-5-13(18)9-22(16)17/h4-9,21H,1-3H3/b20-12+
InChIKeyRQBOCCDXZOJXFG-UDWIEESQSA-N
MW466.32 g/mol
LogP3.32
Rot. Bonds5

About N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide

N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 25023746) has the molecular formula C17H16BrN5O4S and a molecular weight of 466.32 g/mol. Its IUPAC name is N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide
PubChem CID25023746
Molecular FormulaC17H16BrN5O4S
Molecular Weight466.32 g/mol
Exact Mass465.01
IUPAC NameN-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)nc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN5O4S/c1-10-4-6-14(23(24)25)8-15(10)28(26,27)21-20-12(3)17-11(2)19-16-7-5-13(18)9-22(16)17/h4-9,21H,1-3H3/b20-12+
InChIKeyRQBOCCDXZOJXFG-UDWIEESQSA-N
XLogP3.32
TPSA118.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pik-75
CID 10275789
Imidazopyridine derivative, 8d
CID 18766054
Imidazopyridine derivative, 8h
CID 18766055
Imidazopyridine derivative, 4
CID 9934678
Imidazo[1,2-a]pyridine derivative, 2g
CID 10139567
Imidazopyridine derivative, 8g
CID 10271535
Imidazopyridine derivative, 8e
CID 10271745
Imidazopyridine derivative, 7c
CID 25023748
Imidazopyridine derivative, 8f
CID 25023751
(E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
CID 45265864
Imidazopyridine derivative, 7b
CID 25023747
Imidazopyridine derivative, 8a
CID 25023749

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide (CID 25023746) is N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide is C/C(=N\NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)nc2ccc(Br)cn12.
What is the InChIKey of N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is RQBOCCDXZOJXFG-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16BrN5O4S/c1-10-4-6-14(23(24)25)8-15(10)28(26,27)21-20-12(3)17-11(2)19-16-7-5-13(18)9-22(16)17/h4-9,21H,1-3H3/b20-12+.
What are the key properties of N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide?
N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 466.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 25023746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).