[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C174H164ClF10N23O19S6 — CID 158835120

About [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 158835120) has the molecular formula C174H164ClF10N23O19S6 and a molecular weight of 3299.20 g/mol. Its IUPAC name is [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• PubChem CID: 158835120
• Molecular Formula: C174H164ClF10N23O19S6
• Molecular Weight: 3299.20 g/mol
• Exact Mass: 3296.04
• IUPAC Name: [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• SMILES: CC(c1c(F)cc(F)cc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC(c1cc(F)c(F)cc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC(c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CCN1C(=O)c1ccccn1.C[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C(=O)c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C31H31N3O3S.C29H26ClF2N3O3S.2C29H27F3N4O3S.C29H28F2N4O3S.C27H25N5O4S/c35-31(34-19-18-33(20-23-11-12-23)21-28(34)25-6-2-1-3-7-25)27-15-13-24(14-16-27)22-38(36,37)29-10-4-8-26-9-5-17-32-30(26)29;1-19-16-34(17-21-12-23(31)15-24(32)13-21)10-11-35(19)29(36)25-8-7-20(14-26(25)30)18-39(37,38)27-6-2-4-22-5-3-9-33-28(22)27;1-18-17-35(19(2)27-24(31)15-22(30)16-25(27)32)13-14-36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-18-17-35(19(2)23-15-25(31)26(32)16-24(23)30)13-14-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)27-7-3-5-20-6-4-12-33-28(20)27;1-19-18-34(20(2)25-13-10-23(30)17-26(25)31)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;1-19-18-31(16-17-32(19)27(34)23-8-2-3-14-28-23)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24/h1-10,13-17,23,28H,11-12,18-22H2;2-9,12-15,19H,10-11,16-18H2,1H3;2*3-12,15-16,18-19,34H,13-14,17H2,1-2H3;3-14,17,19-20,33H,15-16,18H2,1-2H3;2-15,19,30H,16-18H2,1H3/t28-;19-;2*18-,19?;19-,20?;19-/m100000/s1
• InChIKey: IXNNRQPUKPPXFM-UYSBNLFWSA-N
• XLogP: 29.96
• TPSA: 501.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3299.20
LogP ≤ 5	29.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The IUPAC name of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 158835120) is [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

What is the SMILES notation for [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The canonical SMILES for [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(c1c(F)cc(F)cc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC(c1cc(F)c(F)cc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC(c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CCN1C(=O)c1ccccn1.C[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C(=O)c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)C[C@@H]1c1ccccc1.

What is the InChIKey of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The InChIKey is IXNNRQPUKPPXFM-UYSBNLFWSA-N. The full InChI is InChI=1S/C31H31N3O3S.C29H26ClF2N3O3S.2C29H27F3N4O3S.C29H28F2N4O3S.C27H25N5O4S/c35-31(34-19-18-33(20-23-11-12-23)21-28(34)25-6-2-1-3-7-25)27-15-13-24(14-16-27)22-38(36,37)29-10-4-8-26-9-5-17-32-30(26)29;1-19-16-34(17-21-12-23(31)15-24(32)13-21)10-11-35(19)29(36)25-8-7-20(14-26(25)30)18-39(37,38)27-6-2-4-22-5-3-9-33-28(22)27;1-18-17-35(19(2)27-24(31)15-22(30)16-25(27)32)13-14-36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-18-17-35(19(2)23-15-25(31)26(32)16-24(23)30)13-14-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)27-7-3-5-20-6-4-12-33-28(20)27;1-19-18-34(20(2)25-13-10-23(30)17-26(25)31)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;1-19-18-31(16-17-32(19)27(34)23-8-2-3-14-28-23)26(33)21-10-12-22(13-11-21)30-37(35,36)24-9-4-6-20-7-5-15-29-25(20)24/h1-10,13-17,23,28H,11-12,18-22H2;2-9,12-15,19H,10-11,16-18H2,1H3;2*3-12,15-16,18-19,34H,13-14,17H2,1-2H3;3-14,17,19-20,33H,15-16,18H2,1-2H3;2-15,19,30H,16-18H2,1H3/t28-;19-;2*18-,19?;19-,20?;19-/m100000/s1.

What are the key properties of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3299.20 g/mol, XLogP of 29.96, 36 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 158835120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).