4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C98H116Cl2F2N22O11S6 — CID 161226751

About 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 161226751) has the molecular formula C98H116Cl2F2N22O11S6 and a molecular weight of 2079.45 g/mol. Its IUPAC name is 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 161226751
• Molecular Formula: C98H116Cl2F2N22O11S6
• Molecular Weight: 2079.45 g/mol
• Exact Mass: 2076.69
• IUPAC Name: 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)C(C)n1ccc2ccc(F)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cncc(Cl)n3)cc2)CC1)N1CCCc2cc(F)ccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2ccc(Cl)cc21.N#Cc1ccccc1CN1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H28ClFN6O3S.C25H26ClN5O3S2.C25H26FN5O3S2.C22H22N6O2S.7H2/c1-18(34-10-2-3-19-15-20(28)4-9-23(19)34)26(35)33-13-11-32(12-14-33)21-5-7-22(8-6-21)38(36,37)31-25-17-29-16-24(27)30-25;2*1-17-16-29(21-5-7-22(8-6-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-3-4-20(26)15-23(19)31;23-15-18-3-1-2-4-19(18)16-27-11-13-28(14-12-27)20-5-7-21(8-6-20)31(29,30)26-22-9-10-24-17-25-22;;;;;;;/h4-9,15-18H,2-3,10-14H2,1H3,(H,30,31);2*3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);1-10,17H,11-14,16H2,(H,24,25,26);7*1H/t18-;17-,18-;;;;;;;;;/m10........./s1
• InChIKey: UYFPTNQZXSDUGK-COPBHNOXSA-N
• XLogP: 16.94
• TPSA: 376.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.45
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 161226751) is 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

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

The canonical SMILES for 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is CC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)C(C)n1ccc2ccc(F)cc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cncc(Cl)n3)cc2)CC1)N1CCCc2cc(F)ccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@H](C)n1ccc2ccc(Cl)cc21.N#Cc1ccccc1CN1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

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

The InChIKey is UYFPTNQZXSDUGK-COPBHNOXSA-N. The full InChI is InChI=1S/C26H28ClFN6O3S.C25H26ClN5O3S2.C25H26FN5O3S2.C22H22N6O2S.7H2/c1-18(34-10-2-3-19-15-20(28)4-9-23(19)34)26(35)33-13-11-32(12-14-33)21-5-7-22(8-6-21)38(36,37)31-25-17-29-16-24(27)30-25;2*1-17-16-29(21-5-7-22(8-6-21)36(33,34)28-25-27-10-14-35-25)12-13-30(17)24(32)18(2)31-11-9-19-3-4-20(26)15-23(19)31;23-15-18-3-1-2-4-19(18)16-27-11-13-28(14-12-27)20-5-7-21(8-6-20)31(29,30)26-22-9-10-24-17-25-22;;;;;;;/h4-9,15-18H,2-3,10-14H2,1H3,(H,30,31);2*3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,27,28);1-10,17H,11-14,16H2,(H,24,25,26);7*1H/t18-;17-,18-;;;;;;;;;/m10........./s1.

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

4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2079.45 g/mol, XLogP of 16.94, 24 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;N-(6-chloropyrazin-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161226751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).