4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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

C71H79F6N13O9S6 — CID 162003320

About 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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 162003320) has the molecular formula C71H79F6N13O9S6 and a molecular weight of 1564.88 g/mol. Its IUPAC name is 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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: 162003320
• Molecular Formula: C71H79F6N13O9S6
• Molecular Weight: 1564.88 g/mol
• Exact Mass: 1563.44
• IUPAC Name: 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2c(F)cccc21.Cc1cc2cc(F)ccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C.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]
• InChI: InChI=1S/C25H26FN5O3S2.C25H25FN4O3S2.C21H18F4N4O3S2.5H2/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(30-15-11-21-22(26)3-2-4-23(21)30)24(31)29-13-9-19(10-14-29)18-5-7-20(8-6-18)35(32,33)28-25-27-12-16-34-25;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);2-8,11-12,15-17,19H,9-10,13-14H2,1H3,(H,27,28);1-7,12-13H,8-11H2,(H,26,27);5*1H/t18-;17-;;;;;;/m01....../s1
• InChIKey: YSMTWRMTSIGFDC-UEZXBYBUSA-N
• XLogP: 14.38
• TPSA: 254.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1564.88
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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 162003320) is 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2c(F)cccc21.Cc1cc2cc(F)ccc2n1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H]1C.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].

What is the InChIKey of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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 YSMTWRMTSIGFDC-UEZXBYBUSA-N. The full InChI is InChI=1S/C25H26FN5O3S2.C25H25FN4O3S2.C21H18F4N4O3S2.5H2/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(30-15-11-21-22(26)3-2-4-23(21)30)24(31)29-13-9-19(10-14-29)18-5-7-20(8-6-18)35(32,33)28-25-27-12-16-34-25;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);2-8,11-12,15-17,19H,9-10,13-14H2,1H3,(H,27,28);1-7,12-13H,8-11H2,(H,26,27);5*1H/t18-;17-;;;;;;/m01....../s1.

What are the key properties of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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 1564.88 g/mol, XLogP of 14.38, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-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 162003320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).