4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide

C98H107Cl2F6N21O13S6 — CID 160785532

About 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 160785532) has the molecular formula C98H107Cl2F6N21O13S6 and a molecular weight of 2164.36 g/mol. Its IUPAC name is 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
• PubChem CID: 160785532
• Molecular Formula: C98H107Cl2F6N21O13S6
• Molecular Weight: 2164.36 g/mol
• Exact Mass: 2161.60
• IUPAC Name: 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cc(Cl)ccc21.Cc1ccccc1C(CC(C)C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.O=C1[C@@H](N2CCc3c2ccc(C(F)(F)F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H33N5O3S.C25H25ClN6O3S.C24H21F3N6O4S2.C22H18ClF3N4O3S2.5H2/c1-20(2)18-25(24-7-5-4-6-21(24)3)27(33)32-16-14-31(15-17-32)22-8-10-23(11-9-22)36(34,35)30-26-12-13-28-19-29-26;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;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)31-23-29-15-30-38-23;23-19-15-7-10-30(17(15)6-5-16(19)22(24,25)26)18-8-11-29(20(18)31)13-1-3-14(4-2-13)35(32,33)28-21-27-9-12-34-21;;;;;/h4-13,19-20,25H,14-18H2,1-3H3,(H,28,29,30);2-11,16-18H,12-15H2,1H3,(H,27,28,29);1-9,15H,10-14H2,(H,29,30,31);1-6,9,12,18H,7-8,10-11H2,(H,27,28);5*1H/t;;;18-;;;;;/m...0...../s1
• InChIKey: SBDPQVMLJHBHFZ-BMGVSSDYSA-N
• XLogP: 17.51
• TPSA: 396.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2164.36
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

The IUPAC name of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide (CID 160785532) is 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide.

What is the SMILES notation for 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

The canonical SMILES for 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2cc(Cl)ccc21.Cc1ccccc1C(CC(C)C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.O=C1[C@@H](N2CCc3c2ccc(C(F)(F)F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

The InChIKey is SBDPQVMLJHBHFZ-BMGVSSDYSA-N. The full InChI is InChI=1S/C27H33N5O3S.C25H25ClN6O3S.C24H21F3N6O4S2.C22H18ClF3N4O3S2.5H2/c1-20(2)18-25(24-7-5-4-6-21(24)3)27(33)32-16-14-31(15-17-32)22-8-10-23(11-9-22)36(34,35)30-26-12-13-28-19-29-26;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;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)31-23-29-15-30-38-23;23-19-15-7-10-30(17(15)6-5-16(19)22(24,25)26)18-8-11-29(20(18)31)13-1-3-14(4-2-13)35(32,33)28-21-27-9-12-34-21;;;;;/h4-13,19-20,25H,14-18H2,1-3H3,(H,28,29,30);2-11,16-18H,12-15H2,1H3,(H,27,28,29);1-9,15H,10-14H2,(H,29,30,31);1-6,9,12,18H,7-8,10-11H2,(H,27,28);5*1H/t;;;18-;;;;;/m...0...../s1.

What are the key properties of 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide?

4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 2164.36 g/mol, XLogP of 17.51, 26 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(5-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[(3S)-3-[4-chloro-5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[4-methyl-2-(2-methylphenyl)pentanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[4-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 160785532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).