4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine

C95H123Cl3N21O15S7- — CID 158770855

About 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine

4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine (PubChem CID 158770855) has the molecular formula C95H123Cl3N21O15S7- and a molecular weight of 2129.99 g/mol. Its IUPAC name is 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine
• PubChem CID: 158770855
• Molecular Formula: C95H123Cl3N21O15S7-
• Molecular Weight: 2129.99 g/mol
• Exact Mass: 2126.66
• IUPAC Name: 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine
• SMILES: CC(C)(C)C[C@@H](O)C(=O)N1CCN([C@H]2CCN(c3ccc(S(=O)[O-])cc3)C2=O)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5c(Cl)cccc54)CC3)cc2)n1.Nc1nccs1.O=C(NC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1[C@@H](N2CCOCC2c2cc(Cl)cc(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H25ClN6O3S2.C24H26N6O3S.C23H22Cl2N4O4S2.C21H31N3O5S.C3H4N2S.8H2/c1-16(31-11-10-20-21(25)4-3-5-22(20)31)23(32)30-14-12-29(13-15-30)18-6-8-19(9-7-18)36(33,34)28-24-26-17(2)27-35-24;31-24(27-20-15-18-3-1-2-4-19(18)16-20)30-13-11-29(12-14-30)21-5-7-22(8-6-21)34(32,33)28-23-9-10-25-17-26-23;24-16-11-15(12-17(25)13-16)21-14-33-9-8-29(21)20-5-7-28(22(20)30)18-1-3-19(4-2-18)35(31,32)27-23-26-6-10-34-23;1-21(2,3)14-18(25)20(27)23-12-10-22(11-13-23)17-8-9-24(19(17)26)15-4-6-16(7-5-15)30(28)29;4-3-5-1-2-6-3;;;;;;;;/h3-11,16H,12-15H2,1-2H3,(H,26,27,28);1-10,17,20H,11-16H2,(H,27,31)(H,25,26,28);1-4,6,10-13,20-21H,5,7-9,14H2,(H,26,27);4-7,17-18,25H,8-14H2,1-3H3,(H,28,29);1-2H,(H2,4,5);8*1H/p-1/t;;20-,21?;17-,18+;;;;;;;;;/m..00........./s1
• InChIKey: LSWUZKAPZWZINH-MUMUBAKOSA-M
• XLogP: 14.54
• TPSA: 442.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.99
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

The IUPAC name of 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine (CID 158770855) is 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine.

What is the SMILES notation for 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

The canonical SMILES for 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine is CC(C)(C)C[C@@H](O)C(=O)N1CCN([C@H]2CCN(c3ccc(S(=O)[O-])cc3)C2=O)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)n4ccc5c(Cl)cccc54)CC3)cc2)n1.Nc1nccs1.O=C(NC1Cc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C1[C@@H](N2CCOCC2c2cc(Cl)cc(Cl)c2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

The InChIKey is LSWUZKAPZWZINH-MUMUBAKOSA-M. The full InChI is InChI=1S/C24H25ClN6O3S2.C24H26N6O3S.C23H22Cl2N4O4S2.C21H31N3O5S.C3H4N2S.8H2/c1-16(31-11-10-20-21(25)4-3-5-22(20)31)23(32)30-14-12-29(13-15-30)18-6-8-19(9-7-18)36(33,34)28-24-26-17(2)27-35-24;31-24(27-20-15-18-3-1-2-4-19(18)16-20)30-13-11-29(12-14-30)21-5-7-22(8-6-21)34(32,33)28-23-9-10-25-17-26-23;24-16-11-15(12-17(25)13-16)21-14-33-9-8-29(21)20-5-7-28(22(20)30)18-1-3-19(4-2-18)35(31,32)27-23-26-6-10-34-23;1-21(2,3)14-18(25)20(27)23-12-10-22(11-13-23)17-8-9-24(19(17)26)15-4-6-16(7-5-15)30(28)29;4-3-5-1-2-6-3;;;;;;;;/h3-11,16H,12-15H2,1-2H3,(H,26,27,28);1-10,17,20H,11-16H2,(H,27,31)(H,25,26,28);1-4,6,10-13,20-21H,5,7-9,14H2,(H,26,27);4-7,17-18,25H,8-14H2,1-3H3,(H,28,29);1-2H,(H2,4,5);8*1H/p-1/t;;20-,21?;17-,18+;;;;;;;;;/m..00........./s1.

What are the key properties of 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine?

4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine has a molecular weight of 2129.99 g/mol, XLogP of 14.54, 22 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(4-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[(3S)-3-[3-(3,5-dichlorophenyl)morpholin-4-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(2,3-dihydro-1H-inden-2-yl)-4-[4-(pyrimidin-4-ylsulfamoyl)phenyl]piperazine-1-carboxamide;4-[(3S)-3-[4-[(2R)-2-hydroxy-4,4-dimethylpentanoyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;molecular hydrogen;1,3-thiazol-2-amine is sourced from PubChem (CID 158770855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).