1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol

C111H89BrCl4N6O15S8 — CID 157185556

IUPAC1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol
SMILESC=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(C)sc2ccccc12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(Cl)nc2sccn12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(Cl)sc1Cl.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1ccnn1CCc1ccccc1
InChIInChI=1S/C26H24N2O3S.C24H20O3S2.C22H16BrClN2O3S.C20H15ClN2O3S2.C19H14Cl2O3S2/c1-20(29)25-13-12-23(22-10-6-3-7-11-22)18-24(25)19-32(30,31)26-14-16-27-28(26)17-15-21-8-4-2-5-9-21;1-16(25)21-13-12-19(18-8-4-3-5-9-18)14-20(21)15-29(26,27)24-17(2)28-23-11-7-6-10-22(23)24;1-14(27)19-9-7-16(15-5-3-2-4-6-15)11-17(19)13-30(28,29)22-21(24)25-20-10-8-18(23)12-26(20)22;1-13(24)17-8-7-15(14-5-3-2-4-6-14)11-16(17)12-28(25,26)19-18(21)22-20-23(19)9-10-27-20;1-12(22)16-8-7-14(13-5-3-2-4-6-13)9-15(16)11-26(23,24)17-10-18(20)25-19(17)21/h2-14,16,18,29H,1,15,17,19H2;3-14,25H,1,15H2,2H3;2-12,27H,1,13H2;2-11,24H,1,12H2;2-10,22H,1,11H2
InChIKeyAPBROBXCDCLISB-UHFFFAOYSA-N
MW2225.21 g/mol
LogP29.04
Rot. Bonds28

About 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol

1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol (PubChem CID 157185556) has the molecular formula C111H89BrCl4N6O15S8 and a molecular weight of 2225.21 g/mol. Its IUPAC name is 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol.

Molecular Properties

Compound Name1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol
PubChem CID157185556
Molecular FormulaC111H89BrCl4N6O15S8
Molecular Weight2225.21 g/mol
Exact Mass2220.21
IUPAC Name1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol
SMILESC=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(C)sc2ccccc12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(Cl)nc2sccn12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(Cl)sc1Cl.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1ccnn1CCc1ccccc1
InChIInChI=1S/C26H24N2O3S.C24H20O3S2.C22H16BrClN2O3S.C20H15ClN2O3S2.C19H14Cl2O3S2/c1-20(29)25-13-12-23(22-10-6-3-7-11-22)18-24(25)19-32(30,31)26-14-16-27-28(26)17-15-21-8-4-2-5-9-21;1-16(25)21-13-12-19(18-8-4-3-5-9-18)14-20(21)15-29(26,27)24-17(2)28-23-11-7-6-10-22(23)24;1-14(27)19-9-7-16(15-5-3-2-4-6-15)11-17(19)13-30(28,29)22-21(24)25-20-10-8-18(23)12-26(20)22;1-13(24)17-8-7-15(14-5-3-2-4-6-14)11-16(17)12-28(25,26)19-18(21)22-20-23(19)9-10-27-20;1-12(22)16-8-7-14(13-5-3-2-4-6-13)9-15(16)11-26(23,24)17-10-18(20)25-19(17)21/h2-14,16,18,29H,1,15,17,19H2;3-14,25H,1,15H2,2H3;2-12,27H,1,13H2;2-11,24H,1,12H2;2-10,22H,1,11H2
InChIKeyAPBROBXCDCLISB-UHFFFAOYSA-N
XLogP29.04
TPSA324.27 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002225.21
LogP ≤ 529.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol?
The IUPAC name of 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol (CID 157185556) is 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol.
What is the SMILES notation for 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol?
The canonical SMILES for 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol is C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(C)sc2ccccc12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1c(Cl)nc2sccn12.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(Cl)sc1Cl.C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1ccnn1CCc1ccccc1.
What is the InChIKey of 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol?
The InChIKey is APBROBXCDCLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S.C24H20O3S2.C22H16BrClN2O3S.C20H15ClN2O3S2.C19H14Cl2O3S2/c1-20(29)25-13-12-23(22-10-6-3-7-11-22)18-24(25)19-32(30,31)26-14-16-27-28(26)17-15-21-8-4-2-5-9-21;1-16(25)21-13-12-19(18-8-4-3-5-9-18)14-20(21)15-29(26,27)24-17(2)28-23-11-7-6-10-22(23)24;1-14(27)19-9-7-16(15-5-3-2-4-6-15)11-17(19)13-30(28,29)22-21(24)25-20-10-8-18(23)12-26(20)22;1-13(24)17-8-7-15(14-5-3-2-4-6-14)11-16(17)12-28(25,26)19-18(21)22-20-23(19)9-10-27-20;1-12(22)16-8-7-14(13-5-3-2-4-6-13)9-15(16)11-26(23,24)17-10-18(20)25-19(17)21/h2-14,16,18,29H,1,15,17,19H2;3-14,25H,1,15H2,2H3;2-12,27H,1,13H2;2-11,24H,1,12H2;2-10,22H,1,11H2.
What are the key properties of 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol?
1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol has a molecular weight of 2225.21 g/mol, XLogP of 29.04, 28 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2,5-dichlorothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[2-[(2-methyl-1-benzothiophen-3-yl)sulfonylmethyl]-4-phenylphenyl]ethenol;1-[4-phenyl-2-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylmethyl]phenyl]ethenol is sourced from PubChem (CID 157185556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).