N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C24H21F4N3O2S — CID 57377627

IUPACN-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCc1c(N(Cc2ccc(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccccc2)nc2cccc(C)n12
InChIInChI=1S/C24H21F4N3O2S/c1-3-21-23(29-22-11-7-8-16(2)31(21)22)30(34(32,33)18-9-5-4-6-10-18)15-17-12-13-19(20(25)14-17)24(26,27)28/h4-14H,3,15H2,1-2H3
InChIKeySYZWVFDDJGYUJS-UHFFFAOYSA-N
MW491.51 g/mol
LogP5.76
Rot. Bonds6

About N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 57377627) has the molecular formula C24H21F4N3O2S and a molecular weight of 491.51 g/mol. Its IUPAC name is N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID57377627
Molecular FormulaC24H21F4N3O2S
Molecular Weight491.51 g/mol
Exact Mass491.13
IUPAC NameN-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCc1c(N(Cc2ccc(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccccc2)nc2cccc(C)n12
InChIInChI=1S/C24H21F4N3O2S/c1-3-21-23(29-22-11-7-8-16(2)31(21)22)30(34(32,33)18-9-5-4-6-10-18)15-17-12-13-19(20(25)14-17)24(26,27)28/h4-14H,3,15H2,1-2H3
InChIKeySYZWVFDDJGYUJS-UHFFFAOYSA-N
XLogP5.76
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-ethylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 57377521
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide
CID 57377844
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
CID 141169123
N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide
CID 90090765
sodium 4-[[4-[cyclopropyl(difluoro)methyl]-3-fluorophenyl]methyl-[4-(trifluoromethyl)isoquinolin-3-yl]sulfamoyl]benzoate
CID 91937551
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 5156507
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl](11C)benzoic acid
CID 44621071
4-ethyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-[3-(2-hydroxypropan-2-yl)-1-benzothiophen-2-yl]benzenesulfonamide
CID 151452608
ethane;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-N-(3-sulfanyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 143928473
N-(3-acetyl-1,1-dioxo-1-benzothiophen-2-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 66907097
4-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl-(4-methylisoquinolin-3-yl)sulfamoyl]benzoic acid
CID 91937417

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 57377627) is N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CCc1c(N(Cc2ccc(C(F)(F)F)c(F)c2)S(=O)(=O)c2ccccc2)nc2cccc(C)n12.
What is the InChIKey of N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SYZWVFDDJGYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O2S/c1-3-21-23(29-22-11-7-8-16(2)31(21)22)30(34(32,33)18-9-5-4-6-10-18)15-17-12-13-19(20(25)14-17)24(26,27)28/h4-14H,3,15H2,1-2H3.
What are the key properties of N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 491.51 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).