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

C23H18ClF2N3O4S — CID 57378058

IUPACmethyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(F)c2)c2nc3ccc(Cl)cn3c2C)cc1
InChIInChI=1S/C23H18ClF2N3O4S/c1-14-22(27-21-10-6-17(24)13-28(14)21)29(12-15-3-9-19(25)20(26)11-15)34(31,32)18-7-4-16(5-8-18)23(30)33-2/h3-11,13H,12H2,1-2H3
InChIKeyYJYZMDWMEPXHJF-UHFFFAOYSA-N
MW505.93 g/mol
LogP4.76
Rot. Bonds6

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

methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate (PubChem CID 57378058) has the molecular formula C23H18ClF2N3O4S and a molecular weight of 505.93 g/mol. Its IUPAC name is methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate
PubChem CID57378058
Molecular FormulaC23H18ClF2N3O4S
Molecular Weight505.93 g/mol
Exact Mass505.07
IUPAC Namemethyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(F)c2)c2nc3ccc(Cl)cn3c2C)cc1
InChIInChI=1S/C23H18ClF2N3O4S/c1-14-22(27-21-10-6-17(24)13-28(14)21)29(12-15-3-9-19(25)20(26)11-15)34(31,32)18-7-4-16(5-8-18)23(30)33-2/h3-11,13H,12H2,1-2H3
InChIKeyYJYZMDWMEPXHJF-UHFFFAOYSA-N
XLogP4.76
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.93
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate (CID 57378058) is methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(F)c2)c2nc3ccc(Cl)cn3c2C)cc1.
What is the InChIKey of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate?
The InChIKey is YJYZMDWMEPXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O4S/c1-14-22(27-21-10-6-17(24)13-28(14)21)29(12-15-3-9-19(25)20(26)11-15)34(31,32)18-7-4-16(5-8-18)23(30)33-2/h3-11,13H,12H2,1-2H3.
What are the key properties of methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate?
methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate has a molecular weight of 505.93 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[(3,4-difluorophenyl)methyl]sulfamoyl]benzoate is sourced from PubChem (CID 57378058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).