methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

C24H19ClF3N3O5S — CID 67953962

IUPACmethyl 4-[(6-chloro-3-methylimidazo[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)c2nc3ccc(Cl)cn3c2C)cc1
InChIInChI=1S/C24H19ClF3N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3
InChIKeyQPEMNZWNPVSZDN-UHFFFAOYSA-N
MW553.95 g/mol
LogP5.38
Rot. Bonds7

About methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate

methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 67953962) has the molecular formula C24H19ClF3N3O5S and a molecular weight of 553.95 g/mol. Its IUPAC name is methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
PubChem CID67953962
Molecular FormulaC24H19ClF3N3O5S
Molecular Weight553.95 g/mol
Exact Mass553.07
IUPAC Namemethyl 4-[(6-chloro-3-methylimidazo[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)c2nc3ccc(Cl)cn3c2C)cc1
InChIInChI=1S/C24H19ClF3N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3
InChIKeyQPEMNZWNPVSZDN-UHFFFAOYSA-N
XLogP5.38
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.95
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (CID 67953962) is methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(6-chloro-3-methylimidazo[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)c2nc3ccc(Cl)cn3c2C)cc1.
What is the InChIKey of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The InChIKey is QPEMNZWNPVSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O5S/c1-15-22(29-21-12-7-18(25)14-30(15)21)31(13-16-3-8-19(9-4-16)36-24(26,27)28)37(33,34)20-10-5-17(6-11-20)23(32)35-2/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 553.95 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 67953962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).