sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide

C132H126Br4ClN22NaO23S11 — CID 158188213

IUPACsodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide
SMILESCC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)O)n3)c2c1.CCOC(=O)C(N)=S.CCOC(=O)c1nc(-c2c[nH]c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C=C(C)C)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(CC(C)C)cc23)cs1.O=C(CBr)c1c[nH]c2ncc(Br)cc12.O=S(=O)(Cl)c1ccccc1.[Na+].[OH-]
InChIInChI=1S/C23H23N3O4S2.C23H21N3O4S2.C20H24N4OS.C19H14BrN3O4S2.C15H15N3O2S.C13H10BrN3O2S.C9H6Br2N2O.C6H5ClO2S.C4H7NO2S.Na.H2O/c2*1-4-30-23(27)22-25-20(14-31-22)19-13-26(32(28,29)17-8-6-5-7-9-17)21-18(19)11-16(12-24-21)10-15(2)3;1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-26-19(23-17)20(25)24-6-4-3-5-7-24;1-2-27-19(24)18-22-16(11-28-18)15-10-23(17-14(15)8-12(20)9-21-17)29(25,26)13-6-4-3-5-7-13;1-8(2)3-9-4-10-11(6-17-13(10)16-5-9)12-7-21-14(18-12)15(19)20;1-2-19-13(18)12-17-10(6-20-12)9-5-16-11-8(9)3-7(14)4-15-11;10-2-8(14)7-4-13-9-6(7)1-5(11)3-12-9;7-10(8,9)6-4-2-1-3-5-6;1-2-7-4(6)3(5)8;;/h5-9,11-15H,4,10H2,1-3H3;5-14H,4H2,1-3H3;9-13H,3-8H2,1-2H3,(H,21,22);3-11H,2H2,1H3;4-8H,3H2,1-2H3,(H,16,17)(H,19,20);3-6H,2H2,1H3,(H,15,16);1,3-4H,2H2,(H,12,13);1-5H;2H2,1H3,(H2,5,8);;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFZKGTOWEOUFGOK-UHFFFAOYSA-M
MW3119.39 g/mol
LogP27.00
Rot. Bonds33

About sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide

sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide (PubChem CID 158188213) has the molecular formula C132H126Br4ClN22NaO23S11 and a molecular weight of 3119.39 g/mol. Its IUPAC name is sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide.

Molecular Properties

Compound Namesodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide
PubChem CID158188213
Molecular FormulaC132H126Br4ClN22NaO23S11
Molecular Weight3119.39 g/mol
Exact Mass3112.26
IUPAC Namesodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide
SMILESCC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)O)n3)c2c1.CCOC(=O)C(N)=S.CCOC(=O)c1nc(-c2c[nH]c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C=C(C)C)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(CC(C)C)cc23)cs1.O=C(CBr)c1c[nH]c2ncc(Br)cc12.O=S(=O)(Cl)c1ccccc1.[Na+].[OH-]
InChIInChI=1S/C23H23N3O4S2.C23H21N3O4S2.C20H24N4OS.C19H14BrN3O4S2.C15H15N3O2S.C13H10BrN3O2S.C9H6Br2N2O.C6H5ClO2S.C4H7NO2S.Na.H2O/c2*1-4-30-23(27)22-25-20(14-31-22)19-13-26(32(28,29)17-8-6-5-7-9-17)21-18(19)11-16(12-24-21)10-15(2)3;1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-26-19(23-17)20(25)24-6-4-3-5-7-24;1-2-27-19(24)18-22-16(11-28-18)15-10-23(17-14(15)8-12(20)9-21-17)29(25,26)13-6-4-3-5-7-13;1-8(2)3-9-4-10-11(6-17-13(10)16-5-9)12-7-21-14(18-12)15(19)20;1-2-19-13(18)12-17-10(6-20-12)9-5-16-11-8(9)3-7(14)4-15-11;10-2-8(14)7-4-13-9-6(7)1-5(11)3-12-9;7-10(8,9)6-4-2-1-3-5-6;1-2-7-4(6)3(5)8;;/h5-9,11-15H,4,10H2,1-3H3;5-14H,4H2,1-3H3;9-13H,3-8H2,1-2H3,(H,21,22);3-11H,2H2,1H3;4-8H,3H2,1-2H3,(H,16,17)(H,19,20);3-6H,2H2,1H3,(H,15,16);1,3-4H,2H2,(H,12,13);1-5H;2H2,1H3,(H2,5,8);;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFZKGTOWEOUFGOK-UHFFFAOYSA-M
XLogP27.00
TPSA644.28 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003119.39
LogP ≤ 527.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide?
The IUPAC name of sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide (CID 158188213) is sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide.
What is the SMILES notation for sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide?
The canonical SMILES for sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide is CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)N4CCCCC4)n3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3csc(C(=O)O)n3)c2c1.CCOC(=O)C(N)=S.CCOC(=O)c1nc(-c2c[nH]c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C=C(C)C)cc23)cs1.CCOC(=O)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(CC(C)C)cc23)cs1.O=C(CBr)c1c[nH]c2ncc(Br)cc12.O=S(=O)(Cl)c1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide?
The InChIKey is FZKGTOWEOUFGOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23N3O4S2.C23H21N3O4S2.C20H24N4OS.C19H14BrN3O4S2.C15H15N3O2S.C13H10BrN3O2S.C9H6Br2N2O.C6H5ClO2S.C4H7NO2S.Na.H2O/c2*1-4-30-23(27)22-25-20(14-31-22)19-13-26(32(28,29)17-8-6-5-7-9-17)21-18(19)11-16(12-24-21)10-15(2)3;1-13(2)8-14-9-15-16(11-22-18(15)21-10-14)17-12-26-19(23-17)20(25)24-6-4-3-5-7-24;1-2-27-19(24)18-22-16(11-28-18)15-10-23(17-14(15)8-12(20)9-21-17)29(25,26)13-6-4-3-5-7-13;1-8(2)3-9-4-10-11(6-17-13(10)16-5-9)12-7-21-14(18-12)15(19)20;1-2-19-13(18)12-17-10(6-20-12)9-5-16-11-8(9)3-7(14)4-15-11;10-2-8(14)7-4-13-9-6(7)1-5(11)3-12-9;7-10(8,9)6-4-2-1-3-5-6;1-2-7-4(6)3(5)8;;/h5-9,11-15H,4,10H2,1-3H3;5-14H,4H2,1-3H3;9-13H,3-8H2,1-2H3,(H,21,22);3-11H,2H2,1H3;4-8H,3H2,1-2H3,(H,16,17)(H,19,20);3-6H,2H2,1H3,(H,15,16);1,3-4H,2H2,(H,12,13);1-5H;2H2,1H3,(H2,5,8);;1H2/q;;;;;;;;;+1;/p-1.
What are the key properties of sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide?
sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide has a molecular weight of 3119.39 g/mol, XLogP of 27.00, 33 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzenesulfonyl chloride;2-bromo-1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;ethyl 2-amino-2-sulfanylideneacetate;ethyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylprop-1-enyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylate;ethyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate;4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid;[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-piperidin-1-ylmethanone;hydroxide is sourced from PubChem (CID 158188213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).