N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide

C21H17F2N3O2S — CID 90090765

IUPACN-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(F)c(CF)c1)c1cn2ccccc2n1
InChIInChI=1S/C21H17F2N3O2S/c22-13-17-12-16(9-10-19(17)23)14-26(29(27,28)18-6-2-1-3-7-18)21-15-25-11-5-4-8-20(25)24-21/h1-12,15H,13-14H2
InChIKeyCEFHMBMANDKZPU-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide

N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide (PubChem CID 90090765) has the molecular formula C21H17F2N3O2S and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide
PubChem CID90090765
Molecular FormulaC21H17F2N3O2S
Molecular Weight413.45 g/mol
Exact Mass413.10
IUPAC NameN-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(F)c(CF)c1)c1cn2ccccc2n1
InChIInChI=1S/C21H17F2N3O2S/c22-13-17-12-16(9-10-19(17)23)14-26(29(27,28)18-6-2-1-3-7-18)21-15-25-11-5-4-8-20(25)24-21/h1-12,15H,13-14H2
InChIKeyCEFHMBMANDKZPU-UHFFFAOYSA-N
XLogP4.34
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 57377627
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
1-(2,5-difluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 121149684
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 90090775
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
2-fluoroimidazo[1,2-a]pyridine
CID 68592134
N-cyclopropyl-N-fluoroimidazo[1,2-a]pyridin-2-amine
CID 91122576
[3-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 43248734
N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide?
The IUPAC name of N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide (CID 90090765) is N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(F)c(CF)c1)c1cn2ccccc2n1.
What is the InChIKey of N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide?
The InChIKey is CEFHMBMANDKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2S/c22-13-17-12-16(9-10-19(17)23)14-26(29(27,28)18-6-2-1-3-7-18)21-15-25-11-5-4-8-20(25)24-21/h1-12,15H,13-14H2.
What are the key properties of N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide?
N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide has a molecular weight of 413.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 90090765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).