N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C21H16F3N3O3S — CID 121149786

IUPACN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cccn2cc(-c3ccccc3NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C21H16F3N3O3S/c1-14-5-4-12-27-13-19(25-20(14)27)17-6-2-3-7-18(17)26-31(28,29)16-10-8-15(9-11-16)30-21(22,23)24/h2-13,26H,1H3
InChIKeyUIEXXGPMVOIFMQ-UHFFFAOYSA-N
MW447.44 g/mol
LogP5.01
Rot. Bonds5

About N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 121149786) has the molecular formula C21H16F3N3O3S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID121149786
Molecular FormulaC21H16F3N3O3S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cccn2cc(-c3ccccc3NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C21H16F3N3O3S/c1-14-5-4-12-27-13-19(25-20(14)27)17-6-2-3-7-18(17)26-31(28,29)16-10-8-15(9-11-16)30-21(22,23)24/h2-13,26H,1H3
InChIKeyUIEXXGPMVOIFMQ-UHFFFAOYSA-N
XLogP5.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

2-fluoro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 119099871
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121149747
2-chloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149776
4-ethoxy-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608343
5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149779
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenoxybenzenesulfonamide
CID 121149649
1-(4-chlorophenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 121149174
methyl 4-[(2-imidazo[1,2-a]pyridin-2-ylphenyl)sulfamoyl]benzoate
CID 121149702
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
4-butoxy-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122323379
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 121149786) is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1cccn2cc(-c3ccccc3NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UIEXXGPMVOIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3S/c1-14-5-4-12-27-13-19(25-20(14)27)17-6-2-3-7-18(17)26-31(28,29)16-10-8-15(9-11-16)30-21(22,23)24/h2-13,26H,1H3.
What are the key properties of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 447.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 121149786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).