N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide

C25H19N3O3S — CID 121149649

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2ccccc2n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H19N3O3S/c29-32(30,21-15-13-20(14-16-21)31-19-8-2-1-3-9-19)27-23-11-5-4-10-22(23)24-18-28-17-7-6-12-25(28)26-24/h1-18,27H
InChIKeyBEOLVAGRRCDVOE-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.59
Rot. Bonds6

About N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide (PubChem CID 121149649) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
PubChem CID121149649
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2ccccc2n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H19N3O3S/c29-32(30,21-15-13-20(14-16-21)31-19-8-2-1-3-9-19)27-23-11-5-4-10-22(23)24-18-28-17-7-6-12-25(28)26-24/h1-18,27H
InChIKeyBEOLVAGRRCDVOE-UHFFFAOYSA-N
XLogP5.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide (CID 121149649) is N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide is O=S(=O)(Nc1ccccc1-c1cn2ccccc2n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide?
The InChIKey is BEOLVAGRRCDVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c29-32(30,21-15-13-20(14-16-21)31-19-8-2-1-3-9-19)27-23-11-5-4-10-22(23)24-18-28-17-7-6-12-25(28)26-24/h1-18,27H.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 121149649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).