4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide

C107H90Cl6N12O19S5 — CID 158184124

IUPAC4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide
SMILESCC(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cc(S(=O)(=O)CC(C)O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)Cc2ccccn2)cc1
InChIInChI=1S/C24H18ClN3O3S.C22H21ClN2O4S.C21H18Cl2N2O4S.C20H16ClN3O4S.C20H17ClN2O4S/c25-22-12-9-18(15-21(22)23-6-2-4-14-27-23)28-24(29)17-7-10-20(11-8-17)32(30,31)16-19-5-1-3-13-26-19;1-14-11-17(30(28,29)13-15(2)26)7-8-18(14)22(27)25-16-6-9-20(23)19(12-16)21-5-3-4-10-24-21;1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20;21-17-9-6-14(11-16(17)18-3-1-2-10-23-18)24-20(26)13-4-7-15(8-5-13)29(27,28)12-19(22)25;21-18-9-6-15(13-17(18)19-3-1-2-10-22-19)23-20(25)14-4-7-16(8-5-14)28(26,27)12-11-24/h1-15H,16H2,(H,28,29);3-12,15,26H,13H2,1-2H3,(H,25,27);2-11,13,26H,12H2,1H3,(H,25,27);1-11H,12H2,(H2,22,25)(H,24,26);1-10,13,24H,11-12H2,(H,23,25)
InChIKeyFYYDBDFBMZZWGT-UHFFFAOYSA-N
MW2221.01 g/mol
LogP19.94
Rot. Bonds30

About 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide

4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide (PubChem CID 158184124) has the molecular formula C107H90Cl6N12O19S5 and a molecular weight of 2221.01 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide
PubChem CID158184124
Molecular FormulaC107H90Cl6N12O19S5
Molecular Weight2221.01 g/mol
Exact Mass2216.32
IUPAC Name4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide
SMILESCC(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cc(S(=O)(=O)CC(C)O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)Cc2ccccn2)cc1
InChIInChI=1S/C24H18ClN3O3S.C22H21ClN2O4S.C21H18Cl2N2O4S.C20H16ClN3O4S.C20H17ClN2O4S/c25-22-12-9-18(15-21(22)23-6-2-4-14-27-23)28-24(29)17-7-10-20(11-8-17)32(30,31)16-19-5-1-3-13-26-19;1-14-11-17(30(28,29)13-15(2)26)7-8-18(14)22(27)25-16-6-9-20(23)19(12-16)21-5-3-4-10-24-21;1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20;21-17-9-6-14(11-16(17)18-3-1-2-10-23-18)24-20(26)13-4-7-15(8-5-13)29(27,28)12-19(22)25;21-18-9-6-15(13-17(18)19-3-1-2-10-22-19)23-20(25)14-4-7-16(8-5-14)28(26,27)12-11-24/h1-15H,16H2,(H,28,29);3-12,15,26H,13H2,1-2H3,(H,25,27);2-11,13,26H,12H2,1H3,(H,25,27);1-11H,12H2,(H2,22,25)(H,24,26);1-10,13,24H,11-12H2,(H,23,25)
InChIKeyFYYDBDFBMZZWGT-UHFFFAOYSA-N
XLogP19.94
TPSA497.32 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002221.01
LogP ≤ 519.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide with MolForge

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157213887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157282964
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157391405
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-5-methylsulfonylbenzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 158195392
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158294820
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159088662
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 159604811
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 159665512
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159933061
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160138150
4-acetamido-2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-4-(trifluoromethyl)benzamide
CID 160172149
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 160351848

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide (CID 158184124) is 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide is CC(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.Cc1cc(S(=O)(=O)CC(C)O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)CCO)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)Cc2ccccn2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide?
The InChIKey is FYYDBDFBMZZWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3S.C22H21ClN2O4S.C21H18Cl2N2O4S.C20H16ClN3O4S.C20H17ClN2O4S/c25-22-12-9-18(15-21(22)23-6-2-4-14-27-23)28-24(29)17-7-10-20(11-8-17)32(30,31)16-19-5-1-3-13-26-19;1-14-11-17(30(28,29)13-15(2)26)7-8-18(14)22(27)25-16-6-9-20(23)19(12-16)21-5-3-4-10-24-21;1-13(26)12-30(28,29)15-6-7-16(19(23)11-15)21(27)25-14-5-8-18(22)17(10-14)20-4-2-3-9-24-20;21-17-9-6-14(11-16(17)18-3-1-2-10-23-18)24-20(26)13-4-7-15(8-5-13)29(27,28)12-19(22)25;21-18-9-6-15(13-17(18)19-3-1-2-10-22-19)23-20(25)14-4-7-16(8-5-14)28(26,27)12-11-24/h1-15H,16H2,(H,28,29);3-12,15,26H,13H2,1-2H3,(H,25,27);2-11,13,26H,12H2,1H3,(H,25,27);1-11H,12H2,(H2,22,25)(H,24,26);1-10,13,24H,11-12H2,(H,23,25).
What are the key properties of 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide?
4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide has a molecular weight of 2221.01 g/mol, XLogP of 19.94, 30 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxypropylsulfonyl)-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide is sourced from PubChem (CID 158184124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).