N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide

C182H186BrF3N24O28S9 — CID 158789961

IUPACN-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide
SMILESCC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1.CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1.CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)CC1.Cc1nc(F)ccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccc(F)c(Br)n2)CC1
InChIInChI=1S/C28H26FN3O4S.C28H27N3O4S.C27H25FN4O4S.C26H22BrFN4O4S.C25H30N4O4S.C24H27N3O4S2.C24H29N3O4S2/c29-23-17-22-7-4-8-25(26(22)30-19-23)37(35,36)31-24-11-9-21(10-12-24)27(33)32-15-13-28(34,14-16-32)18-20-5-2-1-3-6-20;32-27(31-18-15-28(33,16-19-31)20-21-6-2-1-3-7-21)23-11-13-24(14-12-23)30-36(34,35)25-10-4-8-22-9-5-17-29-26(22)25;1-18-22(11-12-24(28)30-18)27(34)13-16-32(17-14-27)26(33)20-7-9-21(10-8-20)31-37(35,36)23-6-2-4-19-5-3-15-29-25(19)23;27-24-20(28)10-11-22(30-24)26(34)12-15-32(16-13-26)25(33)18-6-8-19(9-7-18)31-37(35,36)21-5-1-3-17-4-2-14-29-23(17)21;1-24(2,3)17-25(31)11-15-29(16-12-25)23(30)18-7-9-19(10-8-18)28-34(32,33)21-6-4-5-20-22(21)27-14-13-26-20;1-23(9-10-23)15-24(29)11-13-27(14-12-24)22(28)17-5-7-18(8-6-17)26-33(30,31)20-4-2-3-19-21(20)25-16-32-19;1-23(2,3)15-24(29)11-13-27(14-12-24)22(28)17-7-9-18(10-8-17)26-33(30,31)20-6-4-5-19-21(20)25-16-32-19/h1-12,17,19,31,34H,13-16,18H2;1-14,17,30,33H,15-16,18-20H2;2-12,15,31,34H,13-14,16-17H2,1H3;1-11,14,31,34H,12-13,15-16H2;4-10,13-14,28,31H,11-12,15-17H2,1-3H3;2-8,16,26,29H,9-15H2,1H3;4-10,16,26,29H,11-15H2,1-3H3
InChIKeyISDNHIPACJGKTQ-UHFFFAOYSA-N
MW3583.13 g/mol
LogP29.68
Rot. Bonds38

About N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide

N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide (PubChem CID 158789961) has the molecular formula C182H186BrF3N24O28S9 and a molecular weight of 3583.13 g/mol. Its IUPAC name is N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide
PubChem CID158789961
Molecular FormulaC182H186BrF3N24O28S9
Molecular Weight3583.13 g/mol
Exact Mass3579.05
IUPAC NameN-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide
SMILESCC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1.CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1.CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)CC1.Cc1nc(F)ccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccc(F)c(Br)n2)CC1
InChIInChI=1S/C28H26FN3O4S.C28H27N3O4S.C27H25FN4O4S.C26H22BrFN4O4S.C25H30N4O4S.C24H27N3O4S2.C24H29N3O4S2/c29-23-17-22-7-4-8-25(26(22)30-19-23)37(35,36)31-24-11-9-21(10-12-24)27(33)32-15-13-28(34,14-16-32)18-20-5-2-1-3-6-20;32-27(31-18-15-28(33,16-19-31)20-21-6-2-1-3-7-21)23-11-13-24(14-12-23)30-36(34,35)25-10-4-8-22-9-5-17-29-26(22)25;1-18-22(11-12-24(28)30-18)27(34)13-16-32(17-14-27)26(33)20-7-9-21(10-8-20)31-37(35,36)23-6-2-4-19-5-3-15-29-25(19)23;27-24-20(28)10-11-22(30-24)26(34)12-15-32(16-13-26)25(33)18-6-8-19(9-7-18)31-37(35,36)21-5-1-3-17-4-2-14-29-23(17)21;1-24(2,3)17-25(31)11-15-29(16-12-25)23(30)18-7-9-19(10-8-18)28-34(32,33)21-6-4-5-20-22(21)27-14-13-26-20;1-23(9-10-23)15-24(29)11-13-27(14-12-24)22(28)17-5-7-18(8-6-17)26-33(30,31)20-4-2-3-19-21(20)25-16-32-19;1-23(2,3)15-24(29)11-13-27(14-12-24)22(28)17-7-9-18(10-8-17)26-33(30,31)20-6-4-5-19-21(20)25-16-32-19/h1-12,17,19,31,34H,13-16,18H2;1-14,17,30,33H,15-16,18-20H2;2-12,15,31,34H,13-14,16-17H2,1H3;1-11,14,31,34H,12-13,15-16H2;4-10,13-14,28,31H,11-12,15-17H2,1-3H3;2-8,16,26,29H,9-15H2,1H3;4-10,16,26,29H,11-15H2,1-3H3
InChIKeyISDNHIPACJGKTQ-UHFFFAOYSA-N
XLogP29.68
TPSA735.87 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003583.13
LogP ≤ 529.68
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90419038
N-[4-[4-fluoro-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide
CID 178004067
N-[4-[4-[(2,6-difluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90418920
[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 152901793
(4-benzyl-4-hydroxypiperidin-1-yl)-[4-[(3-fluoroquinolin-8-yl)sulfonylmethyl]phenyl]methanone
CID 147462527
N-[4-[4-(2-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90447659
N-[4-[4-[(2,2-difluorocyclopropyl)methyl]-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90419129
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 90419093
N-[4-[4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
CID 140701366
N-[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 86296511
[3-[4-hydroxy-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidin-4-yl]phenyl]methanesulfinic acid
CID 174762281
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159099032

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide?
The IUPAC name of N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide (CID 158789961) is N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide.
What is the SMILES notation for N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide?
The canonical SMILES for N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide is CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc34)cc2)CC1.CC(C)(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2)CC1.CC1(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5scnc45)cc3)CC2)CC1.Cc1nc(F)ccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccc(F)c(Br)n2)CC1.
What is the InChIKey of N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide?
The InChIKey is ISDNHIPACJGKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4S.C28H27N3O4S.C27H25FN4O4S.C26H22BrFN4O4S.C25H30N4O4S.C24H27N3O4S2.C24H29N3O4S2/c29-23-17-22-7-4-8-25(26(22)30-19-23)37(35,36)31-24-11-9-21(10-12-24)27(33)32-15-13-28(34,14-16-32)18-20-5-2-1-3-6-20;32-27(31-18-15-28(33,16-19-31)20-21-6-2-1-3-7-21)23-11-13-24(14-12-23)30-36(34,35)25-10-4-8-22-9-5-17-29-26(22)25;1-18-22(11-12-24(28)30-18)27(34)13-16-32(17-14-27)26(33)20-7-9-21(10-8-20)31-37(35,36)23-6-2-4-19-5-3-15-29-25(19)23;27-24-20(28)10-11-22(30-24)26(34)12-15-32(16-13-26)25(33)18-6-8-19(9-7-18)31-37(35,36)21-5-1-3-17-4-2-14-29-23(17)21;1-24(2,3)17-25(31)11-15-29(16-12-25)23(30)18-7-9-19(10-8-18)28-34(32,33)21-6-4-5-20-22(21)27-14-13-26-20;1-23(9-10-23)15-24(29)11-13-27(14-12-24)22(28)17-5-7-18(8-6-17)26-33(30,31)20-4-2-3-19-21(20)25-16-32-19;1-23(2,3)15-24(29)11-13-27(14-12-24)22(28)17-7-9-18(10-8-17)26-33(30,31)20-6-4-5-19-21(20)25-16-32-19/h1-12,17,19,31,34H,13-16,18H2;1-14,17,30,33H,15-16,18-20H2;2-12,15,31,34H,13-14,16-17H2,1H3;1-11,14,31,34H,12-13,15-16H2;4-10,13-14,28,31H,11-12,15-17H2,1-3H3;2-8,16,26,29H,9-15H2,1H3;4-10,16,26,29H,11-15H2,1-3H3.
What are the key properties of N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide?
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide has a molecular weight of 3583.13 g/mol, XLogP of 29.68, 38 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3-fluoroquinoline-8-sulfonamide;N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide;N-[4-[4-(2,2-dimethylpropyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide;N-[4-[4-(6-fluoro-2-methyl-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-hydroxy-4-[(1-methylcyclopropyl)methyl]piperidine-1-carbonyl]phenyl]-1,3-benzothiazole-4-sulfonamide is sourced from PubChem (CID 158789961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).