4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C94H109Cl3F4N18O11S7 — CID 159667489

About 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 159667489) has the molecular formula C94H109Cl3F4N18O11S7 and a molecular weight of 2073.84 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 159667489
• Molecular Formula: C94H109Cl3F4N18O11S7
• Molecular Weight: 2073.84 g/mol
• Exact Mass: 2070.56
• IUPAC Name: 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: C[C@@H](C(=O)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2c(F)cccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)cc2)CC1)N1CCCc2cc(Cl)ccc21.O=C1[C@@H](N2CCN(c3cccc(Cl)c3Cl)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(N2CCN(c3ccccc3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H29ClF3N5O3S.C24H23FN4O3S2.C23H23Cl2N5O3S2.C19H20N4O2S2.7H2/c1-19(37-13-3-4-20-18-21(29)7-12-24(20)37)27(38)36-16-14-35(15-17-36)22-8-10-23(11-9-22)41(39,40)34-26-6-2-5-25(33-26)28(30,31)32;1-16(28-14-11-19-20(25)4-2-5-22(19)28)23(30)29-13-3-6-21(29)17-7-9-18(10-8-17)34(31,32)27-24-26-12-15-33-24;24-18-2-1-3-19(21(18)25)28-11-13-29(14-12-28)20-8-10-30(22(20)31)16-4-6-17(7-5-16)35(32,33)27-23-26-9-15-34-23;24-27(25,21-19-20-10-15-26-19)18-8-6-17(7-9-18)23-13-11-22(12-14-23)16-4-2-1-3-5-16;;;;;;;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,33,34);2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,26,27);1-7,9,15,20H,8,10-14H2,(H,26,27);1-10,15H,11-14H2,(H,20,21);7*1H/t19-;16-,21?;20-;;;;;;;;/m100......../s1
• InChIKey: MTPCZOHPXFGMRB-PLKCHCORSA-N
• XLogP: 19.18
• TPSA: 321.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.84
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 159667489) is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@@H](C(=O)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2c(F)cccc21.C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)cc2)CC1)N1CCCc2cc(Cl)ccc21.O=C1[C@@H](N2CCN(c3cccc(Cl)c3Cl)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)(Nc1nccs1)c1ccc(N2CCN(c3ccccc3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is MTPCZOHPXFGMRB-PLKCHCORSA-N. The full InChI is InChI=1S/C28H29ClF3N5O3S.C24H23FN4O3S2.C23H23Cl2N5O3S2.C19H20N4O2S2.7H2/c1-19(37-13-3-4-20-18-21(29)7-12-24(20)37)27(38)36-16-14-35(15-17-36)22-8-10-23(11-9-22)41(39,40)34-26-6-2-5-25(33-26)28(30,31)32;1-16(28-14-11-19-20(25)4-2-5-22(19)28)23(30)29-13-3-6-21(29)17-7-9-18(10-8-17)34(31,32)27-24-26-12-15-33-24;24-18-2-1-3-19(21(18)25)28-11-13-29(14-12-28)20-8-10-30(22(20)31)16-4-6-17(7-5-16)35(32,33)27-23-26-9-15-34-23;24-27(25,21-19-20-10-15-26-19)18-8-6-17(7-9-18)23-13-11-22(12-14-23)16-4-2-1-3-5-16;;;;;;;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,33,34);2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,26,27);1-7,9,15,20H,8,10-14H2,(H,26,27);1-10,15H,11-14H2,(H,20,21);7*1H/t19-;16-,21?;20-;;;;;;;;/m100......../s1.

What are the key properties of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 2073.84 g/mol, XLogP of 19.18, 23 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;4-[(3S)-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 159667489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).