N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C24H22F3N3O3S — CID 57377518

IUPACN-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCC(C)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H22F3N3O3S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(34(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)33-24(25,26)27/h3-15,17H,16H2,1-2H3
InChIKeyBHTLPGSCJSLUQO-UHFFFAOYSA-N
MW489.52 g/mol
LogP5.75
Rot. Bonds7

About N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57377518) has the molecular formula C24H22F3N3O3S and a molecular weight of 489.52 g/mol. Its IUPAC name is N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57377518
Molecular FormulaC24H22F3N3O3S
Molecular Weight489.52 g/mol
Exact Mass489.13
IUPAC NameN-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCC(C)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H22F3N3O3S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(34(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)33-24(25,26)27/h3-15,17H,16H2,1-2H3
InChIKeyBHTLPGSCJSLUQO-UHFFFAOYSA-N
XLogP5.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57377518) is N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is CC(C)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12.
What is the InChIKey of N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is BHTLPGSCJSLUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(34(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)33-24(25,26)27/h3-15,17H,16H2,1-2H3.
What are the key properties of N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 489.52 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).