4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C97H110Cl2F2N22O14S7 — CID 159099746

About 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 159099746) has the molecular formula C97H110Cl2F2N22O14S7 and a molecular weight of 2141.46 g/mol. Its IUPAC name is 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 159099746
• Molecular Formula: C97H110Cl2F2N22O14S7
• Molecular Weight: 2141.46 g/mol
• Exact Mass: 2138.60
• IUPAC Name: 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
• SMILES: C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2cccc(F)c21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)CCn1ccc2cccc(Cl)c21.Cc1nnc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)N4CCCc5cc(Cl)ccc54)CC3)cc2)s1.O=C(c1c[nH]c2cccc(F)c12)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H27ClN6O3S.C25H29ClN6O3S2.C24H22FN5O4S2.C22H18FN5O4S2.7H2/c1-19-17-32(21-5-7-22(8-6-21)37(35,36)30-24-9-12-28-18-29-24)15-16-33(19)25(34)11-14-31-13-10-20-3-2-4-23(27)26(20)31;1-17(32-11-3-4-19-16-20(26)5-10-23(19)32)24(33)31-14-12-30(13-15-31)21-6-8-22(9-7-21)37(34,35)29-25-28-27-18(2)36-25;1-16(29-11-9-17-3-2-4-20(25)22(17)29)23(32)28-12-13-30(21(31)15-28)18-5-7-19(8-6-18)36(33,34)27-24-26-10-14-35-24;23-17-2-1-3-18-20(17)16(12-25-18)21(30)27-9-10-28(19(29)13-27)14-4-6-15(7-5-14)34(31,32)26-22-24-8-11-33-22;;;;;;;/h2-10,12-13,18-19H,11,14-17H2,1H3,(H,28,29,30);5-10,16-17H,3-4,11-15H2,1-2H3,(H,28,29);2-11,14,16H,12-13,15H2,1H3,(H,26,27);1-8,11-12,25H,9-10,13H2,(H,24,26);7*1H/t19-;;16-;;;;;;;;/m0.0......../s1
• InChIKey: KDCZLLCALLUFIL-FFXFWWFPSA-N
• XLogP: 16.05
• TPSA: 419.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.46
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 159099746) is 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2cccc(F)c21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CCN1C(=O)CCn1ccc2cccc(Cl)c21.Cc1nnc(NS(=O)(=O)c2ccc(N3CCN(C(=O)C(C)N4CCCc5cc(Cl)ccc54)CC3)cc2)s1.O=C(c1c[nH]c2cccc(F)c12)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is KDCZLLCALLUFIL-FFXFWWFPSA-N. The full InChI is InChI=1S/C26H27ClN6O3S.C25H29ClN6O3S2.C24H22FN5O4S2.C22H18FN5O4S2.7H2/c1-19-17-32(21-5-7-22(8-6-21)37(35,36)30-24-9-12-28-18-29-24)15-16-33(19)25(34)11-14-31-13-10-20-3-2-4-23(27)26(20)31;1-17(32-11-3-4-19-16-20(26)5-10-23(19)32)24(33)31-14-12-30(13-15-31)21-6-8-22(9-7-21)37(34,35)29-25-28-27-18(2)36-25;1-16(29-11-9-17-3-2-4-20(25)22(17)29)23(32)28-12-13-30(21(31)15-28)18-5-7-19(8-6-18)36(33,34)27-24-26-10-14-35-24;23-17-2-1-3-18-20(17)16(12-25-18)21(30)27-9-10-28(19(29)13-27)14-4-6-15(7-5-14)34(31,32)26-22-24-8-11-33-22;;;;;;;/h2-10,12-13,18-19H,11,14-17H2,1H3,(H,28,29,30);5-10,16-17H,3-4,11-15H2,1-2H3,(H,28,29);2-11,14,16H,12-13,15H2,1H3,(H,26,27);1-8,11-12,25H,9-10,13H2,(H,24,26);7*1H/t19-;;16-;;;;;;;;/m0.0......../s1.

What are the key properties of 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?

4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 2141.46 g/mol, XLogP of 16.05, 24 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[3-(7-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-fluoro-1H-indole-3-carbonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[(2S)-2-(7-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 159099746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).