N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C165H163ClF9N25O22S6 — CID 158008538

IUPACN-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(c1cc(F)c(F)c(F)c1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC(C)N1C(=O)c1ccccn1.CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC[C@H]1CN(C(C)c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2c(F)cc(F)cc2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C30H29F3N4O3S.C29H27F3N4O3S.C28H24ClF3N4O3S.C28H27N5O4S.C26H30N4O4S.C24H26N4O5S/c1-3-24-18-36(19(2)22-16-25(31)28(33)26(32)17-22)14-15-37(24)30(38)21-9-11-23(12-10-21)35-41(39,40)27-8-4-6-20-7-5-13-34-29(20)27;1-18-17-35(19(2)22-15-24(30)27(32)25(31)16-22)13-14-36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-17-15-35(16-22-24(31)12-19(30)13-25(22)32)10-11-36(17)28(37)21-8-7-20(14-23(21)29)34-40(38,39)26-6-2-4-18-5-3-9-33-27(18)26;1-19-17-32(18-20(2)33(19)28(35)24-9-3-4-15-29-24)27(34)22-11-13-23(14-12-22)31-38(36,37)25-10-5-7-21-8-6-16-30-26(21)25;1-19-16-29(17-20-11-15-34-18-20)13-14-30(19)26(31)22-7-9-23(10-8-22)28-35(32,33)24-6-2-4-21-5-3-12-27-25(21)24;1-3-33-24(30)27-14-15-28(17(2)16-27)23(29)19-9-11-20(12-10-19)26-34(31,32)21-8-4-6-18-7-5-13-25-22(18)21/h4-13,16-17,19,24,35H,3,14-15,18H2,1-2H3;3-12,15-16,18-19,34H,13-14,17H2,1-2H3;2-9,12-14,17,34H,10-11,15-16H2,1H3;3-16,19-20,31H,17-18H2,1-2H3;2-10,12,19-20,28H,11,13-18H2,1H3;4-13,17,26H,3,14-16H2,1-2H3/t19?,24-;18-,19?;17-;;19-,20?;17-/m010.00/s1
InChIKeyFEPGVCGGGNCWAR-SKBOWFKESA-N
MW3247.11 g/mol
LogP26.93
Rot. Bonds35

About N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 158008538) has the molecular formula C165H163ClF9N25O22S6 and a molecular weight of 3247.11 g/mol. Its IUPAC name is N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID158008538
Molecular FormulaC165H163ClF9N25O22S6
Molecular Weight3247.11 g/mol
Exact Mass3244.03
IUPAC NameN-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(c1cc(F)c(F)c(F)c1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC(C)N1C(=O)c1ccccn1.CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC[C@H]1CN(C(C)c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2c(F)cc(F)cc2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/C30H29F3N4O3S.C29H27F3N4O3S.C28H24ClF3N4O3S.C28H27N5O4S.C26H30N4O4S.C24H26N4O5S/c1-3-24-18-36(19(2)22-16-25(31)28(33)26(32)17-22)14-15-37(24)30(38)21-9-11-23(12-10-21)35-41(39,40)27-8-4-6-20-7-5-13-34-29(20)27;1-18-17-35(19(2)22-15-24(30)27(32)25(31)16-22)13-14-36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-17-15-35(16-22-24(31)12-19(30)13-25(22)32)10-11-36(17)28(37)21-8-7-20(14-23(21)29)34-40(38,39)26-6-2-4-18-5-3-9-33-27(18)26;1-19-17-32(18-20(2)33(19)28(35)24-9-3-4-15-29-24)27(34)22-11-13-23(14-12-22)31-38(36,37)25-10-5-7-21-8-6-16-30-26(21)25;1-19-16-29(17-20-11-15-34-18-20)13-14-30(19)26(31)22-7-9-23(10-8-22)28-35(32,33)24-6-2-4-21-5-3-12-27-25(21)24;1-3-33-24(30)27-14-15-28(17(2)16-27)23(29)19-9-11-20(12-10-19)26-34(31,32)21-8-4-6-18-7-5-13-25-22(18)21/h4-13,16-17,19,24,35H,3,14-15,18H2,1-2H3;3-12,15-16,18-19,34H,13-14,17H2,1-2H3;2-9,12-14,17,34H,10-11,15-16H2,1H3;3-16,19-20,31H,17-18H2,1-2H3;2-10,12,19-20,28H,11,13-18H2,1H3;4-13,17,26H,3,14-16H2,1-2H3/t19?,24-;18-,19?;17-;;19-,20?;17-/m010.00/s1
InChIKeyFEPGVCGGGNCWAR-SKBOWFKESA-N
XLogP26.93
TPSA561.15 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003247.11
LogP ≤ 526.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57411636
N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008232
N-[3-chloro-4-[2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008234
N-[3-chloro-4-[4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 76527309
N-[4-[4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]-4-[3-[[4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]cyclohexyl]quinoline-8-sulfonamide
CID 129042764
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-4-[3-[[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]cyclopentyl]quinoline-8-sulfonamide
CID 129042940
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-[3,5-difluoro-4-[[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 149125779
[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 159714007
N-[3-chloro-4-[4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008188
N-[3-chloro-4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008381
N-[3-chloro-4-[4-(oxan-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 68008567
N-[3-chloro-4-[2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 77385473

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 158008538) is N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(c1cc(F)c(F)c(F)c1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC(C)N1C(=O)c1ccccn1.CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@@H](C)C1.CC[C@H]1CN(C(C)c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCOC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(Cc2c(F)cc(F)cc2F)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is FEPGVCGGGNCWAR-SKBOWFKESA-N. The full InChI is InChI=1S/C30H29F3N4O3S.C29H27F3N4O3S.C28H24ClF3N4O3S.C28H27N5O4S.C26H30N4O4S.C24H26N4O5S/c1-3-24-18-36(19(2)22-16-25(31)28(33)26(32)17-22)14-15-37(24)30(38)21-9-11-23(12-10-21)35-41(39,40)27-8-4-6-20-7-5-13-34-29(20)27;1-18-17-35(19(2)22-15-24(30)27(32)25(31)16-22)13-14-36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-17-15-35(16-22-24(31)12-19(30)13-25(22)32)10-11-36(17)28(37)21-8-7-20(14-23(21)29)34-40(38,39)26-6-2-4-18-5-3-9-33-27(18)26;1-19-17-32(18-20(2)33(19)28(35)24-9-3-4-15-29-24)27(34)22-11-13-23(14-12-22)31-38(36,37)25-10-5-7-21-8-6-16-30-26(21)25;1-19-16-29(17-20-11-15-34-18-20)13-14-30(19)26(31)22-7-9-23(10-8-22)28-35(32,33)24-6-2-4-21-5-3-12-27-25(21)24;1-3-33-24(30)27-14-15-28(17(2)16-27)23(29)19-9-11-20(12-10-19)26-34(31,32)21-8-4-6-18-7-5-13-25-22(18)21/h4-13,16-17,19,24,35H,3,14-15,18H2,1-2H3;3-12,15-16,18-19,34H,13-14,17H2,1-2H3;2-9,12-14,17,34H,10-11,15-16H2,1H3;3-16,19-20,31H,17-18H2,1-2H3;2-10,12,19-20,28H,11,13-18H2,1H3;4-13,17,26H,3,14-16H2,1-2H3/t19?,24-;18-,19?;17-;;19-,20?;17-/m010.00/s1.
What are the key properties of N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3247.11 g/mol, XLogP of 26.93, 35 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 158008538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).