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

C23H16ClF3N3NaO5S — CID 67954023

IUPACsodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2ccc(Cl)cn12.[Na+]
InChIInChI=1S/C23H17ClF3N3O5S.Na/c1-14-21(28-20-11-6-17(24)13-29(14)20)30(12-15-2-7-18(8-3-15)35-23(25,26)27)36(33,34)19-9-4-16(5-10-19)22(31)32;/h2-11,13H,12H2,1H3,(H,31,32);/q;+1/p-1
InChIKeyFUJZDZQASXAJGY-UHFFFAOYSA-M
MW561.90 g/mol
LogP0.96
Rot. Bonds7

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

sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (PubChem CID 67954023) has the molecular formula C23H16ClF3N3NaO5S and a molecular weight of 561.90 g/mol. Its IUPAC name is sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namesodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
PubChem CID67954023
Molecular FormulaC23H16ClF3N3NaO5S
Molecular Weight561.90 g/mol
Exact Mass561.03
IUPAC Namesodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2ccc(Cl)cn12.[Na+]
InChIInChI=1S/C23H17ClF3N3O5S.Na/c1-14-21(28-20-11-6-17(24)13-29(14)20)30(12-15-2-7-18(8-3-15)35-23(25,26)27)36(33,34)19-9-4-16(5-10-19)22(31)32;/h2-11,13H,12H2,1H3,(H,31,32);/q;+1/p-1
InChIKeyFUJZDZQASXAJGY-UHFFFAOYSA-M
XLogP0.96
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.90
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
Methyl 4-[(3-chloroimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate
CID 57378060
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378165
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-(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
N-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 57378486

Frequently Asked Questions

What is the IUPAC name of sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The IUPAC name of sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate (CID 67954023) is sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate.
What is the SMILES notation for sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The canonical SMILES for sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2ccc(Cl)cn12.[Na+].
What is the InChIKey of sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
The InChIKey is FUJZDZQASXAJGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17ClF3N3O5S.Na/c1-14-21(28-20-11-6-17(24)13-29(14)20)30(12-15-2-7-18(8-3-15)35-23(25,26)27)36(33,34)19-9-4-16(5-10-19)22(31)32;/h2-11,13H,12H2,1H3,(H,31,32);/q;+1/p-1.
What are the key properties of sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate?
sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate has a molecular weight of 561.90 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[(6-chloro-3-methylimidazo[1,2-a]pyridin-2-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 67954023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).