N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C21H16F3N3O2S — CID 122283461

IUPACN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)17-9-7-15(8-10-17)14-30(28,29)26-18-5-3-4-16(12-18)19-13-27-11-2-1-6-20(27)25-19/h1-13,26H,14H2
InChIKeyWWUPTJOFZMLAKP-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.96
Rot. Bonds5

About N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 122283461) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID122283461
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC NameN-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)17-9-7-15(8-10-17)14-30(28,29)26-18-5-3-4-16(12-18)19-13-27-11-2-1-6-20(27)25-19/h1-13,26H,14H2
InChIKeyWWUPTJOFZMLAKP-UHFFFAOYSA-N
XLogP4.96
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanesulfonamide
CID 162535328
1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 122283480
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122286053
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-sulfonamide
CID 122283303
1-(4-chlorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285001
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-imidazole-5-sulfonamide
CID 122283460
3,3,3-trifluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propane-1-sulfonamide
CID 122284159
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)methanesulfonamide
CID 122323242
1-(2-fluorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122285018
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-1-(4-methylphenyl)methanesulfonamide
CID 122323264
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)quinoline-8-sulfonamide
CID 122283305
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 877528

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 122283461) is N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2cn3ccccc3n2)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is WWUPTJOFZMLAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c22-21(23,24)17-9-7-15(8-10-17)14-30(28,29)26-18-5-3-4-16(12-18)19-13-27-11-2-1-6-20(27)25-19/h1-13,26H,14H2.
What are the key properties of N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 431.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 122283461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).