N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C22H17F4N3O3S — CID 57378381

IUPACN-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccc(F)cn12
InChIInChI=1S/C22H17F4N3O3S/c1-15-21(27-20-12-9-17(23)14-28(15)20)29(33(30,31)19-5-3-2-4-6-19)13-16-7-10-18(11-8-16)32-22(24,25)26/h2-12,14H,13H2,1H3
InChIKeyLHAFWISNWQDOCE-UHFFFAOYSA-N
MW479.46 g/mol
LogP5.08
Rot. Bonds6

About N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57378381) has the molecular formula C22H17F4N3O3S and a molecular weight of 479.46 g/mol. Its IUPAC name is N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57378381
Molecular FormulaC22H17F4N3O3S
Molecular Weight479.46 g/mol
Exact Mass479.09
IUPAC NameN-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccc(F)cn12
InChIInChI=1S/C22H17F4N3O3S/c1-15-21(27-20-12-9-17(23)14-28(15)20)29(33(30,31)19-5-3-2-4-6-19)13-16-7-10-18(11-8-16)32-22(24,25)26/h2-12,14H,13H2,1H3
InChIKeyLHAFWISNWQDOCE-UHFFFAOYSA-N
XLogP5.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57378381) is N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccc(F)cn12.
What is the InChIKey of N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is LHAFWISNWQDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O3S/c1-15-21(27-20-12-9-17(23)14-28(15)20)29(33(30,31)19-5-3-2-4-6-19)13-16-7-10-18(11-8-16)32-22(24,25)26/h2-12,14H,13H2,1H3.
What are the key properties of N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 479.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57378381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).