N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C165H173ClF6N24O22S6 — CID 157478334

About N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 157478334) has the molecular formula C165H173ClF6N24O22S6 and a molecular weight of 3186.19 g/mol. Its IUPAC name is N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• PubChem CID: 157478334
• Molecular Formula: C165H173ClF6N24O22S6
• Molecular Weight: 3186.19 g/mol
• Exact Mass: 3183.11
• IUPAC Name: N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• SMILES: CC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(Cc2c(F)ccc(F)c2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)OC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)OCC2CC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/2C29H27F3N4O3S.C28H32N4O5S.C27H31ClN4O3S.C26H28N4O5S.C26H28N4O3S/c1-18-15-35(17-23-24(30)12-13-25(31)27(23)32)16-19(2)36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)26-7-3-5-20-6-4-14-33-28(20)26;1-18-17-35(19(2)26-23(30)12-13-24(31)27(26)32)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;1-20-19-31(28(34)37-24-9-3-2-4-10-24)17-18-32(20)27(33)22-12-14-23(15-13-22)30-38(35,36)25-11-5-7-21-8-6-16-29-26(21)25;1-19-17-31(18-20-6-2-3-7-20)14-15-32(19)27(33)23-12-11-22(16-24(23)28)30-36(34,35)25-10-4-8-21-9-5-13-29-26(21)25;1-18-16-29(26(32)35-17-19-7-8-19)14-15-30(18)25(31)21-9-11-22(12-10-21)28-36(33,34)23-6-2-4-20-5-3-13-27-24(20)23;31-26(29-16-22-12-13-23(17-29)30(22)15-18-6-7-18)20-8-10-21(11-9-20)28-34(32,33)24-5-1-3-19-4-2-14-27-25(19)24/h2*3-14,18-19,34H,15-17H2,1-2H3;5-8,11-16,20,24,30H,2-4,9-10,17-19H2,1H3;4-5,8-13,16,19-20,30H,2-3,6-7,14-15,17-18H2,1H3;2-6,9-13,18-19,28H,7-8,14-17H2,1H3;1-5,8-11,14,18,22-23,28H,6-7,12-13,15-17H2/t;18-,19?;20-;19-;18-;/m.1101./s1
• InChIKey: BVWAIJXTVYONOA-FREHJGAWSA-N
• XLogP: 27.69
• TPSA: 548.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3186.19
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The IUPAC name of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 157478334) is N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

What is the SMILES notation for N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The canonical SMILES for N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(Cc2c(F)ccc(F)c2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)OC2CCCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C(=O)OCC2CC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC2CCC(C1)N2CC1CC1.

What is the InChIKey of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The InChIKey is BVWAIJXTVYONOA-FREHJGAWSA-N. The full InChI is InChI=1S/2C29H27F3N4O3S.C28H32N4O5S.C27H31ClN4O3S.C26H28N4O5S.C26H28N4O3S/c1-18-15-35(17-23-24(30)12-13-25(31)27(23)32)16-19(2)36(18)29(37)21-8-10-22(11-9-21)34-40(38,39)26-7-3-5-20-6-4-14-33-28(20)26;1-18-17-35(19(2)26-23(30)12-13-24(31)27(26)32)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;1-20-19-31(28(34)37-24-9-3-2-4-10-24)17-18-32(20)27(33)22-12-14-23(15-13-22)30-38(35,36)25-11-5-7-21-8-6-16-29-26(21)25;1-19-17-31(18-20-6-2-3-7-20)14-15-32(19)27(33)23-12-11-22(16-24(23)28)30-36(34,35)25-10-4-8-21-9-5-13-29-26(21)25;1-18-16-29(26(32)35-17-19-7-8-19)14-15-30(18)25(31)21-9-11-22(12-10-21)28-36(33,34)23-6-2-4-20-5-3-13-27-24(20)23;31-26(29-16-22-12-13-23(17-29)30(22)15-18-6-7-18)20-8-10-21(11-9-20)28-34(32,33)24-5-1-3-19-4-2-14-27-25(19)24/h2*3-14,18-19,34H,15-17H2,1-2H3;5-8,11-16,20,24,30H,2-4,9-10,17-19H2,1H3;4-5,8-13,16,19-20,30H,2-3,6-7,14-15,17-18H2,1H3;2-6,9-13,18-19,28H,7-8,14-17H2,1H3;1-5,8-11,14,18,22-23,28H,6-7,12-13,15-17H2/t;18-,19?;20-;19-;18-;/m.1101./s1.

What are the key properties of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3186.19 g/mol, XLogP of 27.69, 35 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;cyclohexyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[8-(cyclopropylmethyl)-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;cyclopropylmethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 157478334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).