N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C169H172Cl2F6N24O19S6 — CID 159283296

About N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 159283296) has the molecular formula C169H172Cl2F6N24O19S6 and a molecular weight of 3220.68 g/mol. Its IUPAC name is N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• PubChem CID: 159283296
• Molecular Formula: C169H172Cl2F6N24O19S6
• Molecular Weight: 3220.68 g/mol
• Exact Mass: 3217.08
• IUPAC Name: N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• SMILES: CC(c1ccc(Cl)c(F)c1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(Cc2cc(F)c(F)c(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC2CCC(C1)N2Cc1ccc(F)cc1
• InChI: InChI=1S/C29H28ClFN4O3S.C29H27F3N4O3S.C29H27FN4O3S.C28H26ClFN4O3S.C28H34N4O3S.C26H30N4O4S/c1-19-18-34(20(2)23-10-13-25(30)26(31)17-23)15-16-35(19)29(36)22-8-11-24(12-9-22)33-39(37,38)27-7-3-5-21-6-4-14-32-28(21)27;1-18-15-35(17-20-13-24(30)27(32)25(31)14-20)16-19(2)36(18)29(37)22-8-10-23(11-9-22)34-40(38,39)26-7-3-5-21-6-4-12-33-28(21)26;30-23-10-6-20(7-11-23)17-34-25-14-15-26(34)19-33(18-25)29(35)22-8-12-24(13-9-22)32-38(36,37)27-5-1-3-21-4-2-16-31-28(21)27;1-19-17-33(18-20-7-12-24(29)25(30)16-20)14-15-34(19)28(35)22-8-10-23(11-9-22)32-38(36,37)26-6-2-4-21-5-3-13-31-27(21)26;1-21-19-31(20-22-7-3-2-4-8-22)17-18-32(21)28(33)24-12-14-25(15-13-24)30-36(34,35)26-11-5-9-23-10-6-16-29-27(23)26;1-19-16-29(17-20-11-15-34-18-20)13-14-30(19)26(31)22-7-9-23(10-8-22)28-35(32,33)24-6-2-4-21-5-3-12-27-25(21)24/h3-14,17,19-20,33H,15-16,18H2,1-2H3;3-14,18-19,34H,15-17H2,1-2H3;1-13,16,25-26,32H,14-15,17-19H2;2-13,16,19,32H,14-15,17-18H2,1H3;5-6,9-16,21-22,30H,2-4,7-8,17-20H2,1H3;2-10,12,19-20,28H,11,13-18H2,1H3/t19-,20?;;;19-;21-;19-,20?/m1..001/s1
• InChIKey: KZEPAFFQOJUVTD-BVAUAIHVSA-N
• XLogP: 28.74
• TPSA: 504.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3220.68
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The IUPAC name of N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 159283296) is N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

What is the SMILES notation for N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The canonical SMILES for N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(c1ccc(Cl)c(F)c1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(Cc2cc(F)c(F)c(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC2CCC(C1)N2Cc1ccc(F)cc1.

What is the InChIKey of N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The InChIKey is KZEPAFFQOJUVTD-BVAUAIHVSA-N. The full InChI is InChI=1S/C29H28ClFN4O3S.C29H27F3N4O3S.C29H27FN4O3S.C28H26ClFN4O3S.C28H34N4O3S.C26H30N4O4S/c1-19-18-34(20(2)23-10-13-25(30)26(31)17-23)15-16-35(19)29(36)22-8-11-24(12-9-22)33-39(37,38)27-7-3-5-21-6-4-14-32-28(21)27;1-18-15-35(17-20-13-24(30)27(32)25(31)14-20)16-19(2)36(18)29(37)22-8-10-23(11-9-22)34-40(38,39)26-7-3-5-21-6-4-12-33-28(21)26;30-23-10-6-20(7-11-23)17-34-25-14-15-26(34)19-33(18-25)29(35)22-8-12-24(13-9-22)32-38(36,37)27-5-1-3-21-4-2-16-31-28(21)27;1-19-17-33(18-20-7-12-24(29)25(30)16-20)14-15-34(19)28(35)22-8-10-23(11-9-22)32-38(36,37)26-6-2-4-21-5-3-13-31-27(21)26;1-21-19-31(20-22-7-3-2-4-8-22)17-18-32(21)28(33)24-12-14-25(15-13-24)30-36(34,35)26-11-5-9-23-10-6-16-29-27(23)26;1-19-16-29(17-20-11-15-34-18-20)13-14-30(19)26(31)22-7-9-23(10-8-22)28-35(32,33)24-6-2-4-21-5-3-12-27-25(21)24/h3-14,17,19-20,33H,15-16,18H2,1-2H3;3-14,18-19,34H,15-17H2,1-2H3;1-13,16,25-26,32H,14-15,17-19H2;2-13,16,19,32H,14-15,17-18H2,1H3;5-6,9-16,21-22,30H,2-4,7-8,17-20H2,1H3;2-10,12,19-20,28H,11,13-18H2,1H3/t19-,20?;;;19-;21-;19-,20?/m1..001/s1.

What are the key properties of N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3220.68 g/mol, XLogP of 28.74, 36 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 159283296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).