3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

C95H75Cl5N12O15S3 — CID 158835860

IUPAC3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESCc1ccc(Cl)c(C#N)c1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.Cc1cccc(Cl)c1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1C#N.N#Cc1ccc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1Oc1cccc(Cl)c1.N#Cc1ccc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1Oc1ccccc1Cl
InChIInChI=1S/C25H19Cl2N3O3.C24H20ClN3O4S.2C23H18ClN3O4S/c1-14-5-7-20(26)19(12-28)24(14)33-22-10-15(6-8-21(22)27)17-11-23(31)30(13-17)18-4-2-3-16(9-18)25(29)32;1-15-3-2-4-21(25)24(15)32-22-11-16(5-6-17(22)13-26)18-12-23(29)28(14-18)19-7-9-20(10-8-19)33(27,30)31;24-18-2-1-3-20(12-18)31-22-10-15(4-5-16(22)13-25)17-11-23(28)27(14-17)19-6-8-21(9-7-19)32(26,29)30;24-20-3-1-2-4-21(20)31-22-11-15(5-6-16(22)13-25)17-12-23(28)27(14-17)18-7-9-19(10-8-18)32(26,29)30/h2-10,17H,11,13H2,1H3,(H2,29,32);2-11,18H,12,14H2,1H3,(H2,27,30,31);1-10,12,17H,11,14H2,(H2,26,29,30);1-11,17H,12,14H2,(H2,26,29,30)/t17-;18-;2*17-/m0000/s1
InChIKeyIXPYGHOYLOOOCN-QPVYLYJRSA-N
MW1898.18 g/mol
LogP18.41
Rot. Bonds20

About 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide

3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 158835860) has the molecular formula C95H75Cl5N12O15S3 and a molecular weight of 1898.18 g/mol. Its IUPAC name is 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID158835860
Molecular FormulaC95H75Cl5N12O15S3
Molecular Weight1898.18 g/mol
Exact Mass1894.31
IUPAC Name3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESCc1ccc(Cl)c(C#N)c1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.Cc1cccc(Cl)c1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1C#N.N#Cc1ccc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1Oc1cccc(Cl)c1.N#Cc1ccc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1Oc1ccccc1Cl
InChIInChI=1S/C25H19Cl2N3O3.C24H20ClN3O4S.2C23H18ClN3O4S/c1-14-5-7-20(26)19(12-28)24(14)33-22-10-15(6-8-21(22)27)17-11-23(31)30(13-17)18-4-2-3-16(9-18)25(29)32;1-15-3-2-4-21(25)24(15)32-22-11-16(5-6-17(22)13-26)18-12-23(29)28(14-18)19-7-9-20(10-8-19)33(27,30)31;24-18-2-1-3-20(12-18)31-22-10-15(4-5-16(22)13-25)17-11-23(28)27(14-17)19-6-8-21(9-7-19)32(26,29)30;24-20-3-1-2-4-21(20)31-22-11-15(5-6-16(22)13-25)17-12-23(28)27(14-17)18-7-9-19(10-8-18)32(26,29)30/h2-10,17H,11,13H2,1H3,(H2,29,32);2-11,18H,12,14H2,1H3,(H2,27,30,31);1-10,12,17H,11,14H2,(H2,26,29,30);1-11,17H,12,14H2,(H2,26,29,30)/t17-;18-;2*17-/m0000/s1
InChIKeyIXPYGHOYLOOOCN-QPVYLYJRSA-N
XLogP18.41
TPSA436.89 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.18
LogP ≤ 518.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide with MolForge

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Related Compounds

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
4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyano-3-methoxyphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 71029337
4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide
CID 89203938
3-[4-[4-chloro-2-(3-chloro-2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 70966702
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one
CID 89146166
3-chloro-2-[2-chloro-5-[(3R)-1-(4-cyano-3-nitrophenyl)-5-oxopyrrolidin-3-yl]phenoxy]benzonitrile
CID 68954061
4-[(4R)-4-[4-cyano-3-(2-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide
CID 89146165
2-[5-[(3R)-1-[4-amino-2-(hydroxymethyl)quinazolin-6-yl]-5-oxopyrrolidin-3-yl]-2-chlorophenoxy]-3-chlorobenzonitrile
CID 71052295
4-[(4R)-4-[4-chloro-3-(2-chloro-6-isocyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]-2-nitrobenzonitrile
CID 59846930
1-(3-aminophenyl)-4-[3-(3-chlorophenoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 11742216
4-[4-[4-chloro-2-[2-cyano-6-(trifluoromethyl)phenoxy]phenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 76568305
4-[(4R)-4-(4-chloro-3-hydroxyphenyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 70966696

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide (CID 158835860) is 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide is Cc1ccc(Cl)c(C#N)c1Oc1cc([C@H]2CC(=O)N(c3cccc(C(N)=O)c3)C2)ccc1Cl.Cc1cccc(Cl)c1Oc1cc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)ccc1C#N.N#Cc1ccc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1Oc1cccc(Cl)c1.N#Cc1ccc([C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)cc1Oc1ccccc1Cl.
What is the InChIKey of 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is IXPYGHOYLOOOCN-QPVYLYJRSA-N. The full InChI is InChI=1S/C25H19Cl2N3O3.C24H20ClN3O4S.2C23H18ClN3O4S/c1-14-5-7-20(26)19(12-28)24(14)33-22-10-15(6-8-21(22)27)17-11-23(31)30(13-17)18-4-2-3-16(9-18)25(29)32;1-15-3-2-4-21(25)24(15)32-22-11-16(5-6-17(22)13-26)18-12-23(29)28(14-18)19-7-9-20(10-8-19)33(27,30)31;24-18-2-1-3-20(12-18)31-22-10-15(4-5-16(22)13-25)17-11-23(28)27(14-17)19-6-8-21(9-7-19)32(26,29)30;24-20-3-1-2-4-21(20)31-22-11-15(5-6-16(22)13-25)17-12-23(28)27(14-17)18-7-9-19(10-8-18)32(26,29)30/h2-10,17H,11,13H2,1H3,(H2,29,32);2-11,18H,12,14H2,1H3,(H2,27,30,31);1-10,12,17H,11,14H2,(H2,26,29,30);1-11,17H,12,14H2,(H2,26,29,30)/t17-;18-;2*17-/m0000/s1.
What are the key properties of 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide?
3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 1898.18 g/mol, XLogP of 18.41, 20 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 158835860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).