methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

C23H17ClF3N3O5S — CID 57378060

IUPACmethyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2Cl)cc1
InChIInChI=1S/C23H17ClF3N3O5S/c1-34-22(31)16-7-11-18(12-8-16)36(32,33)30(21-20(24)29-13-3-2-4-19(29)28-21)14-15-5-9-17(10-6-15)35-23(25,26)27/h2-13H,14H2,1H3
InChIKeyUBCZPCQHBWKODJ-UHFFFAOYSA-N
MW539.92 g/mol
LogP5.07
Rot. Bonds7

About methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 57378060) has the molecular formula C23H17ClF3N3O5S and a molecular weight of 539.92 g/mol. Its IUPAC name is methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
PubChem CID57378060
Molecular FormulaC23H17ClF3N3O5S
Molecular Weight539.92 g/mol
Exact Mass539.05
IUPAC Namemethyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2Cl)cc1
InChIInChI=1S/C23H17ClF3N3O5S/c1-34-22(31)16-7-11-18(12-8-16)36(32,33)30(21-20(24)29-13-3-2-4-19(29)28-21)14-15-5-9-17(10-6-15)35-23(25,26)27/h2-13H,14H2,1H3
InChIKeyUBCZPCQHBWKODJ-UHFFFAOYSA-N
XLogP5.07
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.92
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate with MolForge

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Related Compounds

N-(3-propan-2-ylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57377518
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57377845
N-[3-ethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57377950
Methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate
CID 57378058
Methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]sulfamoyl]benzoate
CID 57378059
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378165
N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378168
N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378169
N-(3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378170
N-imidazo[1,2-a]pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378276
N-(7-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378278
N-(6-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378381

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (CID 57378060) is methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2nc3ccccn3c2Cl)cc1.
What is the InChIKey of methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The InChIKey is UBCZPCQHBWKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O5S/c1-34-22(31)16-7-11-18(12-8-16)36(32,33)30(21-20(24)29-13-3-2-4-19(29)28-21)14-15-5-9-17(10-6-15)35-23(25,26)27/h2-13H,14H2,1H3.
What are the key properties of methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 539.92 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 57378060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).