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

C21H14ClF4N3O3S — CID 67966872

IUPACN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl
InChIInChI=1S/C21H14ClF4N3O3S/c22-19-20(27-18-3-1-2-12-28(18)19)29(33(30,31)17-10-6-15(23)7-11-17)13-14-4-8-16(9-5-14)32-21(24,25)26/h1-12H,13H2
InChIKeyMEWRYQBCYSHWNE-UHFFFAOYSA-N
MW499.87 g/mol
LogP5.42
Rot. Bonds6

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

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 67966872) has the molecular formula C21H14ClF4N3O3S and a molecular weight of 499.87 g/mol. Its IUPAC name is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID67966872
Molecular FormulaC21H14ClF4N3O3S
Molecular Weight499.87 g/mol
Exact Mass499.04
IUPAC NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl
InChIInChI=1S/C21H14ClF4N3O3S/c22-19-20(27-18-3-1-2-12-28(18)19)29(33(30,31)17-10-6-15(23)7-11-17)13-14-4-8-16(9-5-14)32-21(24,25)26/h1-12H,13H2
InChIKeyMEWRYQBCYSHWNE-UHFFFAOYSA-N
XLogP5.42
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.87
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
CID 67953944
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 67966891
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 90090775
methyl 4-[(3,8-dimethylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
CID 67966857
4-[(4-bromoisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
CID 91937463
4-[(methoxyamino)methyl]-N-(4-methylisoquinolin-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 152593525
N-(4-cyclopropylisoquinolin-3-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 141343328
2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl-[4-(trifluoromethyl)isoquinolin-3-yl]sulfamoyl]benzoic acid
CID 131709581
N-(3-methyl-1-benzothiophen-2-yl)-4-(2H-tetrazol-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 66907218
4-formyl-N-(3-methyl-1-benzothiophen-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 143748315
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 141280137
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 67966872) is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl.
What is the InChIKey of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is MEWRYQBCYSHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF4N3O3S/c22-19-20(27-18-3-1-2-12-28(18)19)29(33(30,31)17-10-6-15(23)7-11-17)13-14-4-8-16(9-5-14)32-21(24,25)26/h1-12H,13H2.
What are the key properties of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 499.87 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 67966872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).