4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C93H110ClF6N19O13S7 — CID 162043940

About 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 162043940) has the molecular formula C93H110ClF6N19O13S7 and a molecular weight of 2075.93 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 162043940
• Molecular Formula: C93H110ClF6N19O13S7
• Molecular Weight: 2075.93 g/mol
• Exact Mass: 2073.62
• IUPAC Name: 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2c(F)cccc21.Cc1cc2cc(F)ccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C.O=C([C@H](O)c1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(c1ccc(C(F)(F)F)cc1F)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C25H26FN5O3S2.C22H22ClN5O4S.C21H18F4N4O3S2.9H2/c1-17-13-19-14-20(26)3-8-23(19)31(17)16-24(32)30-11-10-29(15-18(30)2)21-4-6-22(7-5-21)36(33,34)28-25-27-9-12-35-25;1-17-16-29(19-6-8-20(9-7-19)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-21-22(26)4-3-5-23(21)31;23-19-4-2-1-3-18(19)21(29)22(30)28-13-11-27(12-14-28)16-5-7-17(8-6-16)33(31,32)26-20-9-10-24-15-25-20;22-18-13-14(21(23,24)25)1-6-17(18)19(30)29-10-8-28(9-11-29)15-2-4-16(5-3-15)34(31,32)27-20-26-7-12-33-20;;;;;;;;;/h3-9,12-14,18H,10-11,15-16H2,1-2H3,(H,27,28);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);1-10,15,21,29H,11-14H2,(H,24,25,26);1-7,12-13H,8-11H2,(H,26,27);9*1H/t18-;17-,18-;21-;;;;;;;;;;/m011........../s1
• InChIKey: YXQJAVFCAUOYMR-ULTPJEQFSA-N
• XLogP: 17.01
• TPSA: 373.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2075.93
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 162043940) is 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C(=O)[C@@H](C)n1ccc2c(F)cccc21.Cc1cc2cc(F)ccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C.O=C([C@H](O)c1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(c1ccc(C(F)(F)F)cc1F)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is YXQJAVFCAUOYMR-ULTPJEQFSA-N. The full InChI is InChI=1S/2C25H26FN5O3S2.C22H22ClN5O4S.C21H18F4N4O3S2.9H2/c1-17-13-19-14-20(26)3-8-23(19)31(17)16-24(32)30-11-10-29(15-18(30)2)21-4-6-22(7-5-21)36(33,34)28-25-27-9-12-35-25;1-17-16-29(19-6-8-20(9-7-19)36(33,34)28-25-27-11-15-35-25)13-14-30(17)24(32)18(2)31-12-10-21-22(26)4-3-5-23(21)31;23-19-4-2-1-3-18(19)21(29)22(30)28-13-11-27(12-14-28)16-5-7-17(8-6-16)33(31,32)26-20-9-10-24-15-25-20;22-18-13-14(21(23,24)25)1-6-17(18)19(30)29-10-8-28(9-11-29)15-2-4-16(5-3-15)34(31,32)27-20-26-7-12-33-20;;;;;;;;;/h3-9,12-14,18H,10-11,15-16H2,1-2H3,(H,27,28);3-12,15,17-18H,13-14,16H2,1-2H3,(H,27,28);1-10,15,21,29H,11-14H2,(H,24,25,26);1-7,12-13H,8-11H2,(H,26,27);9*1H/t18-;17-,18-;21-;;;;;;;;;;/m011........../s1.

What are the key properties of 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2075.93 g/mol, XLogP of 17.01, 23 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 162043940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).