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

C24H22F3N3O2S — CID 57377519

IUPACN-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)c1c(N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H22F3N3O2S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(33(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)24(25,26)27/h3-15,17H,16H2,1-2H3
InChIKeyWSPVKUJQACCHPR-UHFFFAOYSA-N
MW473.52 g/mol
LogP5.87
Rot. Bonds6

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

N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 57377519) has the molecular formula C24H22F3N3O2S and a molecular weight of 473.52 g/mol. Its IUPAC name is N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID57377519
Molecular FormulaC24H22F3N3O2S
Molecular Weight473.52 g/mol
Exact Mass473.14
IUPAC NameN-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(C)c1c(N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H22F3N3O2S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(33(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)24(25,26)27/h3-15,17H,16H2,1-2H3
InChIKeyWSPVKUJQACCHPR-UHFFFAOYSA-N
XLogP5.87
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 57377519) is N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CC(C)c1c(N(Cc2ccc(C(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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is WSPVKUJQACCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S/c1-17(2)22-23(28-21-10-6-7-15-29(21)22)30(33(31,32)20-8-4-3-5-9-20)16-18-11-13-19(14-12-18)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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 473.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).