[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

C144H140ClF7N18O18S5 — CID 158135495

About [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (PubChem CID 158135495) has the molecular formula C144H140ClF7N18O18S5 and a molecular weight of 2739.59 g/mol. Its IUPAC name is [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
• PubChem CID: 158135495
• Molecular Formula: C144H140ClF7N18O18S5
• Molecular Weight: 2739.59 g/mol
• Exact Mass: 2736.88
• IUPAC Name: [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
• SMILES: CC(c1cc(F)cc(F)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC(c1ccc(F)c(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@H]1CN(C(=O)O[C@@H]2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CC2)CCN1C(=O)c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C33H28F2N4O3S.C30H29F2N3O3S.C29H27F3N4O3S.C26H28ClN3O3S.C26H28N4O6S/c34-27-18-23(19-28(35)20-27)21-38-16-17-39(30(22-38)24-6-2-1-3-7-24)33(40)26-11-13-29(14-12-26)37-43(41,42)31-10-4-8-25-9-5-15-36-32(25)31;1-20-18-34(21(2)25-15-26(31)17-27(32)16-25)13-14-35(20)30(36)24-10-8-22(9-11-24)19-39(37,38)28-7-3-5-23-6-4-12-33-29(23)28;1-18-17-35(19(2)23-12-13-24(30)27(32)26(23)31)15-16-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)25-7-3-5-20-6-4-14-33-28(20)25;1-18-15-29(16-19-7-8-19)12-13-30(18)26(31)22-10-9-20(14-23(22)27)17-34(32,33)24-6-2-4-21-5-3-11-28-25(21)24;1-18-16-29(26(32)36-22-11-15-35-17-22)13-14-30(18)25(31)20-7-9-21(10-8-20)28-37(33,34)23-6-2-4-19-5-3-12-27-24(19)23/h1-15,18-20,30,37H,16-17,21-22H2;3-12,15-17,20-21H,13-14,18-19H2,1-2H3;3-14,18-19,34H,15-17H2,1-2H3;2-6,9-11,14,18-19H,7-8,12-13,15-17H2,1H3;2-10,12,18,22,28H,11,13-17H2,1H3/t30-;20-,21?;18-,19?;18-;18-,22+/m10000/s1
• InChIKey: FTHGZDBFTIQDRD-ACQDGACLSA-N
• XLogP: 24.29
• TPSA: 424.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2739.59
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?

The IUPAC name of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate (CID 158135495) is [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate.

What is the SMILES notation for [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?

The canonical SMILES for [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate is CC(c1cc(F)cc(F)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC(c1ccc(F)c(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.C[C@H]1CN(C(=O)O[C@@H]2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CC2)CCN1C(=O)c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1.

What is the InChIKey of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?

The InChIKey is FTHGZDBFTIQDRD-ACQDGACLSA-N. The full InChI is InChI=1S/C33H28F2N4O3S.C30H29F2N3O3S.C29H27F3N4O3S.C26H28ClN3O3S.C26H28N4O6S/c34-27-18-23(19-28(35)20-27)21-38-16-17-39(30(22-38)24-6-2-1-3-7-24)33(40)26-11-13-29(14-12-26)37-43(41,42)31-10-4-8-25-9-5-15-36-32(25)31;1-20-18-34(21(2)25-15-26(31)17-27(32)16-25)13-14-35(20)30(36)24-10-8-22(9-11-24)19-39(37,38)28-7-3-5-23-6-4-12-33-29(23)28;1-18-17-35(19(2)23-12-13-24(30)27(32)26(23)31)15-16-36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)25-7-3-5-20-6-4-14-33-28(20)25;1-18-15-29(16-19-7-8-19)12-13-30(18)26(31)22-10-9-20(14-23(22)27)17-34(32,33)24-6-2-4-21-5-3-11-28-25(21)24;1-18-16-29(26(32)36-22-11-15-35-17-22)13-14-30(18)25(31)20-7-9-21(10-8-20)28-37(33,34)23-6-2-4-19-5-3-12-27-24(19)23/h1-15,18-20,30,37H,16-17,21-22H2;3-12,15-17,20-21H,13-14,18-19H2,1-2H3;3-14,18-19,34H,15-17H2,1-2H3;2-6,9-11,14,18-19H,7-8,12-13,15-17H2,1H3;2-10,12,18,22,28H,11,13-17H2,1H3/t30-;20-,21?;18-,19?;18-;18-,22+/m10000/s1.

What are the key properties of [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate?

[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate has a molecular weight of 2739.59 g/mol, XLogP of 24.29, 30 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 158135495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).