N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C23H20F3N3O3S — CID 57378486

IUPACN-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1ccn2c(C)c(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccccc3)nc2c1
InChIInChI=1S/C23H20F3N3O3S/c1-16-12-13-28-17(2)22(27-21(28)14-16)29(33(30,31)20-6-4-3-5-7-20)15-18-8-10-19(11-9-18)32-23(24,25)26/h3-14H,15H2,1-2H3
InChIKeyFKQSOURWMKDPFO-UHFFFAOYSA-N
MW475.49 g/mol
LogP5.25
Rot. Bonds6

About N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57378486) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57378486
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC NameN-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1ccn2c(C)c(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccccc3)nc2c1
InChIInChI=1S/C23H20F3N3O3S/c1-16-12-13-28-17(2)22(27-21(28)14-16)29(33(30,31)20-6-4-3-5-7-20)15-18-8-10-19(11-9-18)32-23(24,25)26/h3-14H,15H2,1-2H3
InChIKeyFKQSOURWMKDPFO-UHFFFAOYSA-N
XLogP5.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57378486) is N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is Cc1ccn2c(C)c(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccccc3)nc2c1.
What is the InChIKey of N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is FKQSOURWMKDPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-16-12-13-28-17(2)22(27-21(28)14-16)29(33(30,31)20-6-4-3-5-7-20)15-18-8-10-19(11-9-18)32-23(24,25)26/h3-14H,15H2,1-2H3.
What are the key properties of N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 475.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57378486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).