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

C21H16F3N3O3S — CID 57378276

IUPACN-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1cn2ccccc2n1
InChIInChI=1S/C21H16F3N3O3S/c22-21(23,24)30-17-11-9-16(10-12-17)14-27(31(28,29)18-6-2-1-3-7-18)20-15-26-13-5-4-8-19(26)25-20/h1-13,15H,14H2
InChIKeyWFXBIQGMVFJHIM-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.63
Rot. Bonds6

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

N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57378276) has the molecular formula C21H16F3N3O3S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57378276
Molecular FormulaC21H16F3N3O3S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC NameN-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1cn2ccccc2n1
InChIInChI=1S/C21H16F3N3O3S/c22-21(23,24)30-17-11-9-16(10-12-17)14-27(31(28,29)18-6-2-1-3-7-18)20-15-26-13-5-4-8-19(26)25-20/h1-13,15H,14H2
InChIKeyWFXBIQGMVFJHIM-UHFFFAOYSA-N
XLogP4.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57378276) is N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1cn2ccccc2n1.
What is the InChIKey of N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is WFXBIQGMVFJHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3S/c22-21(23,24)30-17-11-9-16(10-12-17)14-27(31(28,29)18-6-2-1-3-7-18)20-15-26-13-5-4-8-19(26)25-20/h1-13,15H,14H2.
What are the key properties of N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 447.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57378276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).