2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C92H106Cl2F3N17O14S8 — CID 159616389

About 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159616389) has the molecular formula C92H106Cl2F3N17O14S8 and a molecular weight of 2058.40 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 159616389
• Molecular Formula: C92H106Cl2F3N17O14S8
• Molecular Weight: 2058.40 g/mol
• Exact Mass: 2055.52
• IUPAC Name: 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC(Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2ccc(C(F)(F)F)cc21.Cc1cc2ccccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.Cc1ccc(C)c(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H24F3N5O3S2.C24H25N5O3S2.C22H22Cl2N4O4S2.C21H21N3O4S2.7H2/c1-17-15-31(20-4-6-21(7-5-20)38(35,36)30-24-29-9-13-37-24)11-12-33(17)23(34)16-32-10-8-18-2-3-19(14-22(18)32)25(26,27)28;1-18-16-19-4-2-3-5-22(19)29(18)17-23(30)28-13-11-27(12-14-28)20-6-8-21(9-7-20)34(31,32)26-24-25-10-15-33-24;1-14(32-19-4-2-3-18(23)20(19)24)21(29)26-15-9-11-28(13-15)16-5-7-17(8-6-16)34(30,31)27-22-25-10-12-33-22;1-14-3-4-15(2)19(13-14)28-18-9-11-24(20(18)25)16-5-7-17(8-6-16)30(26,27)23-21-22-10-12-29-21;;;;;;;/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,29,30);2-10,15-16H,11-14,17H2,1H3,(H,25,26);2-8,10,12,14-15H,9,11,13H2,1H3,(H,25,27)(H,26,29);3-8,10,12-13,18H,9,11H2,1-2H3,(H,22,23);7*1H/t17-;;14?,15-;;;;;;;;/m0.0......../s1
• InChIKey: MNIJYNKABBAIHB-FNZINFKUSA-N
• XLogP: 18.09
• TPSA: 364.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.40
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159616389) is 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC(Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)Cn1ccc2ccc(C(F)(F)F)cc21.Cc1cc2ccccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.Cc1ccc(C)c(OC2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is MNIJYNKABBAIHB-FNZINFKUSA-N. The full InChI is InChI=1S/C25H24F3N5O3S2.C24H25N5O3S2.C22H22Cl2N4O4S2.C21H21N3O4S2.7H2/c1-17-15-31(20-4-6-21(7-5-20)38(35,36)30-24-29-9-13-37-24)11-12-33(17)23(34)16-32-10-8-18-2-3-19(14-22(18)32)25(26,27)28;1-18-16-19-4-2-3-5-22(19)29(18)17-23(30)28-13-11-27(12-14-28)20-6-8-21(9-7-20)34(31,32)26-24-25-10-15-33-24;1-14(32-19-4-2-3-18(23)20(19)24)21(29)26-15-9-11-28(13-15)16-5-7-17(8-6-16)34(30,31)27-22-25-10-12-33-22;1-14-3-4-15(2)19(13-14)28-18-9-11-24(20(18)25)16-5-7-17(8-6-16)30(26,27)23-21-22-10-12-29-21;;;;;;;/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,29,30);2-10,15-16H,11-14,17H2,1H3,(H,25,26);2-8,10,12,14-15H,9,11,13H2,1H3,(H,25,27)(H,26,29);3-8,10,12-13,18H,9,11H2,1-2H3,(H,22,23);7*1H/t17-;;14?,15-;;;;;;;;/m0.0......../s1.

What are the key properties of 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2058.40 g/mol, XLogP of 18.09, 26 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dichlorophenoxy)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide;4-[3-(2,5-dimethylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-methylindol-1-yl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-methyl-4-[2-[6-(trifluoromethyl)indol-1-yl]acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159616389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).