4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C100H117Cl5FN21O13S5 — CID 157084551

About 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 157084551) has the molecular formula C100H117Cl5FN21O13S5 and a molecular weight of 2177.77 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• PubChem CID: 157084551
• Molecular Formula: C100H117Cl5FN21O13S5
• Molecular Weight: 2177.77 g/mol
• Exact Mass: 2173.62
• IUPAC Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cc(F)ccc21.CC(Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2ccc(Cl)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccnc(Cl)c3)cc2)CC1)N1CCCc2cc(Cl)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H29Cl2N5O3S.C25H25ClN6O3S.C25H25FN6O3S.C23H24Cl2N4O4S2.7H2/c1-19(34-12-2-3-20-17-21(28)4-9-25(20)34)27(35)33-15-13-32(14-16-33)23-5-7-24(8-6-23)38(36,37)31-22-10-11-30-26(29)18-22;1-18(32-11-9-19-2-3-20(26)16-23(19)32)25(33)31-14-12-30(13-15-31)21-4-6-22(7-5-21)36(34,35)29-24-8-10-27-17-28-24;1-18(32-11-9-19-16-20(26)2-7-23(19)32)25(33)31-14-12-30(13-15-31)21-3-5-22(6-4-21)36(34,35)29-24-8-10-27-17-28-24;1-15-14-28(17-6-8-18(9-7-17)35(31,32)27-23-26-10-13-34-23)11-12-29(15)22(30)16(2)33-20-5-3-4-19(24)21(20)25;;;;;;;/h4-11,17-19H,2-3,12-16H2,1H3,(H,30,31);2*2-11,16-18H,12-15H2,1H3,(H,27,28,29);3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,27);7*1H/t19-;18-;;15-,16?;;;;;;;/m10.0......./s1
• InChIKey: ADYCJIXNGSFIGL-ZPQSZFPMSA-N
• XLogP: 18.23
• TPSA: 378.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.77
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 157084551) is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cc(F)ccc21.CC(Oc1cccc(Cl)c1Cl)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C.C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2ccc(Cl)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccnc(Cl)c3)cc2)CC1)N1CCCc2cc(Cl)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

The InChIKey is ADYCJIXNGSFIGL-ZPQSZFPMSA-N. The full InChI is InChI=1S/C27H29Cl2N5O3S.C25H25ClN6O3S.C25H25FN6O3S.C23H24Cl2N4O4S2.7H2/c1-19(34-12-2-3-20-17-21(28)4-9-25(20)34)27(35)33-15-13-32(14-16-33)23-5-7-24(8-6-23)38(36,37)31-22-10-11-30-26(29)18-22;1-18(32-11-9-19-2-3-20(26)16-23(19)32)25(33)31-14-12-30(13-15-31)21-4-6-22(7-5-21)36(34,35)29-24-8-10-27-17-28-24;1-18(32-11-9-19-16-20(26)2-7-23(19)32)25(33)31-14-12-30(13-15-31)21-3-5-22(6-4-21)36(34,35)29-24-8-10-27-17-28-24;1-15-14-28(17-6-8-18(9-7-17)35(31,32)27-23-26-10-13-34-23)11-12-29(15)22(30)16(2)33-20-5-3-4-19(24)21(20)25;;;;;;;/h4-11,17-19H,2-3,12-16H2,1H3,(H,30,31);2*2-11,16-18H,12-15H2,1H3,(H,27,28,29);3-10,13,15-16H,11-12,14H2,1-2H3,(H,26,27);7*1H/t19-;18-;;15-,16?;;;;;;;/m10.0......./s1.

What are the key properties of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 2177.77 g/mol, XLogP of 18.23, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-4-pyridinyl)benzenesulfonamide;4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-4-[2-(2,3-dichlorophenoxy)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157084551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).