(2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

C93H117F2N23O13S6 — CID 159538507

About (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

(2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 159538507) has the molecular formula C93H117F2N23O13S6 and a molecular weight of 1995.50 g/mol. Its IUPAC name is (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
• PubChem CID: 159538507
• Molecular Formula: C93H117F2N23O13S6
• Molecular Weight: 1995.50 g/mol
• Exact Mass: 1993.75
• IUPAC Name: (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
• SMILES: CC(=O)CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1ccccc1.CC(Nc1ccccc1NN)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.O=C1[C@@H](NCCc2ccccc2F)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/C25H27N5O4S.C24H25FN6O3S2.C23H28N8O3S.C21H21FN4O3S2.8H2/c1-19(31)17-23(20-5-3-2-4-6-20)25(32)30-15-13-29(14-16-30)21-7-9-22(10-8-21)35(33,34)28-24-11-12-26-18-27-24;1-16(31-14-11-20-21(25)3-2-4-22(20)31)23(32)28-17-9-12-30(13-10-17)18-5-7-19(8-6-18)36(33,34)29-24-26-15-27-35-24;1-17(27-20-4-2-3-5-21(20)28-24)23(32)31-14-12-30(13-15-31)18-6-8-19(9-7-18)35(33,34)29-22-10-11-25-16-26-22;22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21;;;;;;;;/h2-12,18,23H,13-17H2,1H3,(H,26,27,28);2-8,11,14-17H,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29);2-11,16-17,27-28H,12-15,24H2,1H3,(H,25,26,29);1-8,12,14,19,23H,9-11,13H2,(H,24,25);8*1H/t;16-;;19-;;;;;;;;/m.1.0......../s1
• InChIKey: MDXAHCJGEHPMJY-UIDJTZLVSA-N
• XLogP: 13.17
• TPSA: 458.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.50
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?

The IUPAC name of (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 159538507) is (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

What is the SMILES notation for (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?

The canonical SMILES for (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is CC(=O)CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)c1ccccc1.CC(Nc1ccccc1NN)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.O=C1[C@@H](NCCc2ccccc2F)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 (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?

The InChIKey is MDXAHCJGEHPMJY-UIDJTZLVSA-N. The full InChI is InChI=1S/C25H27N5O4S.C24H25FN6O3S2.C23H28N8O3S.C21H21FN4O3S2.8H2/c1-19(31)17-23(20-5-3-2-4-6-20)25(32)30-15-13-29(14-16-30)21-7-9-22(10-8-21)35(33,34)28-24-11-12-26-18-27-24;1-16(31-14-11-20-21(25)3-2-4-22(20)31)23(32)28-17-9-12-30(13-10-17)18-5-7-19(8-6-18)36(33,34)29-24-26-15-27-35-24;1-17(27-20-4-2-3-5-21(20)28-24)23(32)31-14-12-30(13-15-31)18-6-8-19(9-7-18)35(33,34)29-22-10-11-25-16-26-22;22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21;;;;;;;;/h2-12,18,23H,13-17H2,1H3,(H,26,27,28);2-8,11,14-17H,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29);2-11,16-17,27-28H,12-15,24H2,1H3,(H,25,26,29);1-8,12,14,19,23H,9-11,13H2,(H,24,25);8*1H/t;16-;;19-;;;;;;;;/m.1.0......../s1.

What are the key properties of (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?

(2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 1995.50 g/mol, XLogP of 13.17, 31 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide;4-[(3S)-3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2-hydrazinylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;4-[4-(4-oxo-2-phenylpentanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 159538507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).