N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide

C171H158Cl4F3N21O25S7 — CID 157071774

About N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide (PubChem CID 157071774) has the molecular formula C171H158Cl4F3N21O25S7 and a molecular weight of 3330.54 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
• PubChem CID: 157071774
• Molecular Formula: C171H158Cl4F3N21O25S7
• Molecular Weight: 3330.54 g/mol
• Exact Mass: 3325.85
• IUPAC Name: N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
• SMILES: COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1O.Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2O)CC1
• InChI: InChI=1S/C29H24ClF3N4O3S2.C29H28N4O4S.C29H29N3O5S.C28H25Cl2N3O4S.C28H25ClN4O4S.C28H27N3O5S/c30-23-11-10-22(29(31,32)33)17-24(23)35-28(41)37-15-13-36(14-16-37)27(38)21-8-6-19(7-9-21)18-42(39,40)25-5-1-3-20-4-2-12-34-26(20)25;1-21-7-13-25(14-8-21)31-29(35)33-18-16-32(17-19-33)28(34)24-11-9-22(10-12-24)20-38(36,37)26-6-2-4-23-5-3-15-30-27(23)26;1-37-26-12-9-22(18-25(26)33)19-31-14-16-32(17-15-31)29(34)24-10-7-21(8-11-24)20-38(35,36)27-6-2-4-23-5-3-13-30-28(23)27;29-23-15-22(27(34)24(30)16-23)17-32-11-13-33(14-12-32)28(35)21-8-6-19(7-9-21)18-38(36,37)25-5-1-3-20-4-2-10-31-26(20)25;29-23-10-12-24(13-11-23)31-28(35)33-17-15-32(16-18-33)27(34)22-8-6-20(7-9-22)19-38(36,37)25-5-1-3-21-4-2-14-30-26(21)25;32-24-7-1-5-23(27(24)33)18-30-14-16-31(17-15-30)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-29-26(21)25/h1-12,17H,13-16,18H2,(H,35,41);2-15H,16-20H2,1H3,(H,31,35);2-13,18,33H,14-17,19-20H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-14H,15-19H2,(H,31,35);1-13,32-33H,14-19H2
• InChIKey: ACMZXGLMYVCZCP-UHFFFAOYSA-N
• XLogP: 28.03
• TPSA: 583.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3330.54
LogP ≤ 5	28.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?

The IUPAC name of N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide (CID 157071774) is N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?

The canonical SMILES for N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1O.Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2O)CC1.

What is the InChIKey of N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?

The InChIKey is ACMZXGLMYVCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N4O3S2.C29H28N4O4S.C29H29N3O5S.C28H25Cl2N3O4S.C28H25ClN4O4S.C28H27N3O5S/c30-23-11-10-22(29(31,32)33)17-24(23)35-28(41)37-15-13-36(14-16-37)27(38)21-8-6-19(7-9-21)18-42(39,40)25-5-1-3-20-4-2-12-34-26(20)25;1-21-7-13-25(14-8-21)31-29(35)33-18-16-32(17-19-33)28(34)24-11-9-22(10-12-24)20-38(36,37)26-6-2-4-23-5-3-15-30-27(23)26;1-37-26-12-9-22(18-25(26)33)19-31-14-16-32(17-15-31)29(34)24-10-7-21(8-11-24)20-38(35,36)27-6-2-4-23-5-3-13-30-28(23)27;29-23-15-22(27(34)24(30)16-23)17-32-11-13-33(14-12-32)28(35)21-8-6-19(7-9-21)18-38(36,37)25-5-1-3-20-4-2-10-31-26(20)25;29-23-10-12-24(13-11-23)31-28(35)33-17-15-32(16-18-33)27(34)22-8-6-20(7-9-22)19-38(36,37)25-5-1-3-21-4-2-14-30-26(21)25;32-24-7-1-5-23(27(24)33)18-30-14-16-31(17-15-30)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-29-26(21)25/h1-12,17H,13-16,18H2,(H,35,41);2-15H,16-20H2,1H3,(H,31,35);2-13,18,33H,14-17,19-20H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-14H,15-19H2,(H,31,35);1-13,32-33H,14-19H2.

What are the key properties of N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide?

N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide has a molecular weight of 3330.54 g/mol, XLogP of 28.03, 34 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carbothioamide;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxy-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(4-methylphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 157071774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).