N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide

C21H18N4O5S — CID 122323583

IUPACN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H18N4O5S/c1-14-4-3-11-24-13-19(22-21(14)24)15-5-10-20(30-2)18(12-15)23-31(28,29)17-8-6-16(7-9-17)25(26)27/h3-13,23H,1-2H3
InChIKeyUXBQQFAELKGSMC-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.03
Rot. Bonds6

About N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide

N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide (PubChem CID 122323583) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide
PubChem CID122323583
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC NameN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H18N4O5S/c1-14-4-3-11-24-13-19(22-21(14)24)15-5-10-20(30-2)18(12-15)23-31(28,29)17-8-6-16(7-9-17)25(26)27/h3-13,23H,1-2H3
InChIKeyUXBQQFAELKGSMC-UHFFFAOYSA-N
XLogP4.03
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-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

4-acetyl-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323524
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122323556
4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323379
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122323542
4-ethoxy-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608343
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122323301
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methylbenzamide
CID 122323314
3-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 122323277
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide (CID 122323583) is N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide is COc1ccc(-c2cn3cccc(C)c3n2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide?
The InChIKey is UXBQQFAELKGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-14-4-3-11-24-13-19(22-21(14)24)15-5-10-20(30-2)18(12-15)23-31(28,29)17-8-6-16(7-9-17)25(26)27/h3-13,23H,1-2H3.
What are the key properties of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide?
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide has a molecular weight of 438.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 122323583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).