N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C24H19F6N3O3S — CID 57377950

IUPACN-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C24H19F6N3O3S/c1-2-20-22(31-21-19(23(25,26)27)9-6-14-32(20)21)33(37(34,35)18-7-4-3-5-8-18)15-16-10-12-17(13-11-16)36-24(28,29)30/h3-14H,2,15H2,1H3
InChIKeyKWTHJHOXXWYMBK-UHFFFAOYSA-N
MW543.49 g/mol
LogP6.21
Rot. Bonds7

About N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57377950) has the molecular formula C24H19F6N3O3S and a molecular weight of 543.49 g/mol. Its IUPAC name is N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57377950
Molecular FormulaC24H19F6N3O3S
Molecular Weight543.49 g/mol
Exact Mass543.11
IUPAC NameN-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C24H19F6N3O3S/c1-2-20-22(31-21-19(23(25,26)27)9-6-14-32(20)21)33(37(34,35)18-7-4-3-5-8-18)15-16-10-12-17(13-11-16)36-24(28,29)30/h3-14H,2,15H2,1H3
InChIKeyKWTHJHOXXWYMBK-UHFFFAOYSA-N
XLogP6.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.49
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57377950) is N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is CCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is KWTHJHOXXWYMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N3O3S/c1-2-20-22(31-21-19(23(25,26)27)9-6-14-32(20)21)33(37(34,35)18-7-4-3-5-8-18)15-16-10-12-17(13-11-16)36-24(28,29)30/h3-14H,2,15H2,1H3.
What are the key properties of N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 543.49 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).