4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide

C120H106Cl5F2N11O18S4 — CID 158679841

IUPAC4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
SMILESCC(C)c1ccccc1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.CCSc1ccccc1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.Cc1cc(F)ccc1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1Cl.Cc1ccc(F)cc1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1Cl.N#Cc1ccc(Oc2cc([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3)ccc2Cl)cc1
InChIInChI=1S/C26H25ClN2O3.C25H23ClN2O3S.2C23H20ClFN2O4S.C23H18ClN3O4S/c1-16(2)21-8-3-4-9-23(21)32-24-13-17(10-11-22(24)27)19-14-25(30)29(15-19)20-7-5-6-18(12-20)26(28)31;1-2-32-23-9-4-3-8-21(23)31-22-13-16(10-11-20(22)26)18-14-24(29)28(15-18)19-7-5-6-17(12-19)25(27)30;1-14-10-17(25)3-9-21(14)31-22-11-15(2-8-20(22)24)16-12-23(28)27(13-16)18-4-6-19(7-5-18)32(26,29)30;1-14-2-4-17(25)12-21(14)31-22-10-15(3-9-20(22)24)16-11-23(28)27(13-16)18-5-7-19(8-6-18)32(26,29)30;24-21-10-3-16(11-22(21)31-19-6-1-15(13-25)2-7-19)17-12-23(28)27(14-17)18-4-8-20(9-5-18)32(26,29)30/h3-13,16,19H,14-15H2,1-2H3,(H2,28,31);3-13,18H,2,14-15H2,1H3,(H2,27,30);2-11,16H,12-13H2,1H3,(H2,26,29,30);2-10,12,16H,11,13H2,1H3,(H2,26,29,30);1-11,17H,12,14H2,(H2,26,29,30)/t19-;18-;2*16-;17-/m00000/s1
InChIKeyIEZBPQKJGXSYIN-PMBPSFBXSA-N
MW2333.76 g/mol
LogP25.41
Rot. Bonds28

About 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide

4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide (PubChem CID 158679841) has the molecular formula C120H106Cl5F2N11O18S4 and a molecular weight of 2333.76 g/mol. Its IUPAC name is 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
PubChem CID158679841
Molecular FormulaC120H106Cl5F2N11O18S4
Molecular Weight2333.76 g/mol
Exact Mass2329.50
IUPAC Name4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
SMILESCC(C)c1ccccc1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.CCSc1ccccc1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.Cc1cc(F)ccc1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1Cl.Cc1ccc(F)cc1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1Cl.N#Cc1ccc(Oc2cc([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3)ccc2Cl)cc1
InChIInChI=1S/C26H25ClN2O3.C25H23ClN2O3S.2C23H20ClFN2O4S.C23H18ClN3O4S/c1-16(2)21-8-3-4-9-23(21)32-24-13-17(10-11-22(24)27)19-14-25(30)29(15-19)20-7-5-6-18(12-20)26(28)31;1-2-32-23-9-4-3-8-21(23)31-22-13-16(10-11-20(22)26)18-14-24(29)28(15-18)19-7-5-6-17(12-19)25(27)30;1-14-10-17(25)3-9-21(14)31-22-11-15(2-8-20(22)24)16-12-23(28)27(13-16)18-4-6-19(7-5-18)32(26,29)30;1-14-2-4-17(25)12-21(14)31-22-10-15(3-9-20(22)24)16-11-23(28)27(13-16)18-5-7-19(8-6-18)32(26,29)30;24-21-10-3-16(11-22(21)31-19-6-1-15(13-25)2-7-19)17-12-23(28)27(14-17)18-4-8-20(9-5-18)32(26,29)30/h3-13,16,19H,14-15H2,1-2H3,(H2,28,31);3-13,18H,2,14-15H2,1H3,(H2,27,30);2-11,16H,12-13H2,1H3,(H2,26,29,30);2-10,12,16H,11,13H2,1H3,(H2,26,29,30);1-11,17H,12,14H2,(H2,26,29,30)/t19-;18-;2*16-;17-/m00000/s1
InChIKeyIEZBPQKJGXSYIN-PMBPSFBXSA-N
XLogP25.41
TPSA438.15 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002333.76
LogP ≤ 525.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
The IUPAC name of 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide (CID 158679841) is 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide.
What is the SMILES notation for 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
The canonical SMILES for 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide is CC(C)c1ccccc1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.CCSc1ccccc1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.Cc1cc(F)ccc1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1Cl.Cc1ccc(F)cc1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1Cl.N#Cc1ccc(Oc2cc([C@H]3CC(=O)N(c4ccc(S(N)(=O)=O)cc4)C3)ccc2Cl)cc1.
What is the InChIKey of 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
The InChIKey is IEZBPQKJGXSYIN-PMBPSFBXSA-N. The full InChI is InChI=1S/C26H25ClN2O3.C25H23ClN2O3S.2C23H20ClFN2O4S.C23H18ClN3O4S/c1-16(2)21-8-3-4-9-23(21)32-24-13-17(10-11-22(24)27)19-14-25(30)29(15-19)20-7-5-6-18(12-20)26(28)31;1-2-32-23-9-4-3-8-21(23)31-22-13-16(10-11-20(22)26)18-14-24(29)28(15-18)19-7-5-6-17(12-19)25(27)30;1-14-10-17(25)3-9-21(14)31-22-11-15(2-8-20(22)24)16-12-23(28)27(13-16)18-4-6-19(7-5-18)32(26,29)30;1-14-2-4-17(25)12-21(14)31-22-10-15(3-9-20(22)24)16-11-23(28)27(13-16)18-5-7-19(8-6-18)32(26,29)30;24-21-10-3-16(11-22(21)31-19-6-1-15(13-25)2-7-19)17-12-23(28)27(14-17)18-4-8-20(9-5-18)32(26,29)30/h3-13,16,19H,14-15H2,1-2H3,(H2,28,31);3-13,18H,2,14-15H2,1H3,(H2,27,30);2-11,16H,12-13H2,1H3,(H2,26,29,30);2-10,12,16H,11,13H2,1H3,(H2,26,29,30);1-11,17H,12,14H2,(H2,26,29,30)/t19-;18-;2*16-;17-/m00000/s1.
What are the key properties of 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide?
4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide has a molecular weight of 2333.76 g/mol, XLogP of 25.41, 28 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-[4-chloro-3-(4-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-ethylsulfanylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[4-chloro-3-(4-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[4-chloro-3-(5-fluoro-2-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;3-[(4R)-4-[4-chloro-3-(2-propan-2-ylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide is sourced from PubChem (CID 158679841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).