N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate

C200H188ClF4N29O30S7 — CID 162132940

About N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate

N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate (PubChem CID 162132940) has the molecular formula C200H188ClF4N29O30S7 and a molecular weight of 3813.79 g/mol. Its IUPAC name is N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate.

Molecular Properties

• Compound Name: N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate
• PubChem CID: 162132940
• Molecular Formula: C200H188ClF4N29O30S7
• Molecular Weight: 3813.79 g/mol
• Exact Mass: 3810.17
• IUPAC Name: N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate
• SMILES: CC(=O)Oc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.CCCC(=O)Oc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncccc3F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)c(C)c3)CC2)n1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2)CC1
• InChI: InChI=1S/C32H33N3O5S.C30H29N3O5S.C28H24F3N5O4S.C28H27N5O4S.C28H27N3O4S.C27H24ClN5O4S.C27H24FN5O4S/c1-2-5-30(36)40-28-15-11-24(12-16-28)22-34-18-20-35(21-19-34)32(37)27-13-9-25(10-14-27)23-41(38,39)29-8-3-6-26-7-4-17-33-31(26)29;1-22(34)38-27-13-9-23(10-14-27)20-32-16-18-33(19-17-32)30(35)26-11-7-24(8-12-26)21-39(36,37)28-6-2-4-25-5-3-15-31-29(25)28;1-18-17-20(9-10-22(18)34-41(39,40)23-8-2-5-19-6-3-11-32-24(19)23)26(37)35-13-15-36(16-14-35)27(38)25-21(28(29,30)31)7-4-12-33-25;1-19-18-22(27(34)32-14-16-33(17-15-32)28(35)24-9-3-6-20(2)30-24)11-12-23(19)31-38(36,37)25-10-4-7-21-8-5-13-29-26(21)25;32-25-7-1-4-22(18-25)19-30-14-16-31(17-15-30)28(33)24-11-9-21(10-12-24)20-36(34,35)26-8-2-5-23-6-3-13-29-27(23)26;1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24;1-18-17-20(26(34)32-13-15-33(16-14-32)27(35)25-21(28)7-4-12-30-25)9-10-22(18)31-38(36,37)23-8-2-5-19-6-3-11-29-24(19)23/h3-4,6-17H,2,5,18-23H2,1H3;2-15H,16-21H2,1H3;2-12,17,34H,13-16H2,1H3;3-13,18,31H,14-17H2,1-2H3;1-13,18,32H,14-17,19-20H2;2-11,16-17,31H,12-15H2,1H3;2-12,17,31H,13-16H2,1H3
• InChIKey: ZIXBZYZBOSEDTB-UHFFFAOYSA-N
• XLogP: 28.31
• TPSA: 734.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 42
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3813.79
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate?

The IUPAC name of N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate (CID 162132940) is N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate.

What is the SMILES notation for N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate?

The canonical SMILES for N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate is CC(=O)Oc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.CCCC(=O)Oc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3ncccc3F)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cccc(C(=O)N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)c(C)c3)CC2)n1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2)CC1.

What is the InChIKey of N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate?

The InChIKey is ZIXBZYZBOSEDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O5S.C30H29N3O5S.C28H24F3N5O4S.C28H27N5O4S.C28H27N3O4S.C27H24ClN5O4S.C27H24FN5O4S/c1-2-5-30(36)40-28-15-11-24(12-16-28)22-34-18-20-35(21-19-34)32(37)27-13-9-25(10-14-27)23-41(38,39)29-8-3-6-26-7-4-17-33-31(26)29;1-22(34)38-27-13-9-23(10-14-27)20-32-16-18-33(19-17-32)30(35)26-11-7-24(8-12-26)21-39(36,37)28-6-2-4-25-5-3-15-31-29(25)28;1-18-17-20(9-10-22(18)34-41(39,40)23-8-2-5-19-6-3-11-32-24(19)23)26(37)35-13-15-36(16-14-35)27(38)25-21(28(29,30)31)7-4-12-33-25;1-19-18-22(27(34)32-14-16-33(17-15-32)28(35)24-9-3-6-20(2)30-24)11-12-23(19)31-38(36,37)25-10-4-7-21-8-5-13-29-26(21)25;32-25-7-1-4-22(18-25)19-30-14-16-31(17-15-30)28(33)24-11-9-21(10-12-24)20-36(34,35)26-8-2-5-23-6-3-13-29-27(23)26;1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24;1-18-17-20(26(34)32-13-15-33(16-14-32)27(35)25-21(28)7-4-12-30-25)9-10-22(18)31-38(36,37)23-8-2-5-19-6-3-11-29-24(19)23/h3-4,6-17H,2,5,18-23H2,1H3;2-15H,16-21H2,1H3;2-12,17,34H,13-16H2,1H3;3-13,18,31H,14-17H2,1-2H3;1-13,18,32H,14-17,19-20H2;2-11,16-17,31H,12-15H2,1H3;2-12,17,31H,13-16H2,1H3.

What are the key properties of N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate?

N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate has a molecular weight of 3813.79 g/mol, XLogP of 28.31, 42 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate is sourced from PubChem (CID 162132940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).