4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide

C75H80F3N17O11S5 — CID 157286443

About 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 157286443) has the molecular formula C75H80F3N17O11S5 and a molecular weight of 1612.90 g/mol. Its IUPAC name is 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
• PubChem CID: 157286443
• Molecular Formula: C75H80F3N17O11S5
• Molecular Weight: 1612.90 g/mol
• Exact Mass: 1611.48
• IUPAC Name: 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
• SMILES: Cc1cc2ccccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.Cc1ccc2c(ccn2C(C)C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)c1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H28N6O3S.C25H25N5O4S2.C24H21F3N6O4S2.3H2/c1-19-3-8-24-21(17-19)10-12-32(24)20(2)26(33)31-15-13-30(14-16-31)22-4-6-23(7-5-22)36(34,35)29-25-9-11-27-18-28-25;1-17-15-19-5-3-4-6-22(19)30(17)18(2)24(32)28-12-13-29(23(31)16-28)20-7-9-21(10-8-20)36(33,34)27-25-26-11-14-35-25;25-24(26,27)19-3-1-2-18-20(8-9-28-22(18)19)37-14-21(34)33-12-10-32(11-13-33)16-4-6-17(7-5-16)39(35,36)31-23-30-29-15-38-23;;;/h3-12,17-18,20H,13-16H2,1-2H3,(H,27,28,29);3-11,14-15,18H,12-13,16H2,1-2H3,(H,26,27);1-9,15H,10-14H2,(H,30,31);3*1H
• InChIKey: BAHCTNUJDDEZRF-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 322.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.90
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

The IUPAC name of 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide (CID 157286443) is 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide is Cc1cc2ccccc2n1C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.Cc1ccc2c(ccn2C(C)C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ccncn4)cc3)CC2)c1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

The InChIKey is BAHCTNUJDDEZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S.C25H25N5O4S2.C24H21F3N6O4S2.3H2/c1-19-3-8-24-21(17-19)10-12-32(24)20(2)26(33)31-15-13-30(14-16-31)22-4-6-23(7-5-22)36(34,35)29-25-9-11-27-18-28-25;1-17-15-19-5-3-4-6-22(19)30(17)18(2)24(32)28-12-13-29(23(31)16-28)20-7-9-21(10-8-20)36(33,34)27-25-26-11-14-35-25;25-24(26,27)19-3-1-2-18-20(8-9-28-22(18)19)37-14-21(34)33-12-10-32(11-13-33)16-4-6-17(7-5-16)39(35,36)31-23-30-29-15-38-23;;;/h3-12,17-18,20H,13-16H2,1-2H3,(H,27,28,29);3-11,14-15,18H,12-13,16H2,1-2H3,(H,26,27);1-9,15H,10-14H2,(H,30,31);3*1H.

What are the key properties of 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 1612.90 g/mol, XLogP of 11.47, 19 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(2-methylindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 157286443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).