N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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

C201H196ClF15N28O21S7 — CID 157246723

IUPACN-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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
SMILESCC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC(c1ccc(F)c(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.CC1CN(Cc2cc(F)cc(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2cc(F)cc(F)c2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2ccc(F)cc2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/4C29H27F3N4O3S.C29H28F2N4O3S.C29H29FN4O3S.C27H31ClN4O3S/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;1-18-17-35(19(2)23-12-13-24(30)27(32)26(23)31)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;1-18-15-35(17-22-13-23(30)14-25(31)27(22)32)16-19(2)36(18)29(37)21-8-10-24(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-19-16-34(18-21-13-24(30)15-25(31)14-21)17-20(2)35(19)29(36)23-8-10-26(11-9-23)33-39(37,38)27-7-3-5-22-6-4-12-32-28(22)27;1-20-17-33(19-22-8-12-25(30)13-9-22)18-21(2)34(20)29(35)24-10-14-26(15-11-24)32-38(36,37)27-7-3-5-23-6-4-16-31-28(23)27;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/h4*3-14,18-19,34H,15-17H2,1-2H3;3-15,19-20,33H,16-18H2,1-2H3;3-16,20-21,32H,17-19H2,1-2H3;4-5,8-13,16,19-20,30H,2-3,6-7,14-15,17-18H2,1H3/t;2*18-,19?;;;;19-/m.11...0/s1
InChIKeyAVWANBVAALBJRQ-AOUKGSSBSA-N
MW3884.85 g/mol
LogP36.08
Rot. Bonds42

About N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 157246723) has the molecular formula C201H196ClF15N28O21S7 and a molecular weight of 3884.85 g/mol. Its IUPAC name is N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 NameN-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 CID157246723
Molecular FormulaC201H196ClF15N28O21S7
Molecular Weight3884.85 g/mol
Exact Mass3881.26
IUPAC NameN-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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
SMILESCC(c1c(F)ccc(F)c1F)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)[C@H](C)C1.CC(c1ccc(F)c(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.CC1CN(Cc2cc(F)cc(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2cc(F)cc(F)c2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2ccc(F)cc2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl
InChIInChI=1S/4C29H27F3N4O3S.C29H28F2N4O3S.C29H29FN4O3S.C27H31ClN4O3S/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;1-18-17-35(19(2)23-12-13-24(30)27(32)26(23)31)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;1-18-15-35(17-22-13-23(30)14-25(31)27(22)32)16-19(2)36(18)29(37)21-8-10-24(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-19-16-34(18-21-13-24(30)15-25(31)14-21)17-20(2)35(19)29(36)23-8-10-26(11-9-23)33-39(37,38)27-7-3-5-22-6-4-12-32-28(22)27;1-20-17-33(19-22-8-12-25(30)13-9-22)18-21(2)34(20)29(35)24-10-14-26(15-11-24)32-38(36,37)27-7-3-5-23-6-4-16-31-28(23)27;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/h4*3-14,18-19,34H,15-17H2,1-2H3;3-15,19-20,33H,16-18H2,1-2H3;3-16,20-21,32H,17-19H2,1-2H3;4-5,8-13,16,19-20,30H,2-3,6-7,14-15,17-18H2,1H3/t;2*18-,19?;;;;19-/m.11...0/s1
InChIKeyAVWANBVAALBJRQ-AOUKGSSBSA-N
XLogP36.08
TPSA578.27 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003884.85
LogP ≤ 536.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 with MolForge

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Related Compounds

Mitapivat Sulfate
CID 134693700
N-[4-[4-(4-chloro-2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 49853973
N-[4-[(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410447
N-[4-[(2S)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57411400
N-[3-chloro-4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57411636
N-[4-[4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634747
N-[4-[4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59634936
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59635072
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635076
N-[4-[4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59635117
N-[4-[4-[(4-chloro-2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635125
N-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635144

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 157246723) is N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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.CC(c1ccc(F)c(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.CC1CN(Cc2cc(F)cc(F)c2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2cc(F)cc(F)c2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.CC1CN(Cc2ccc(F)cc2)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@H]1CN(CC2CCCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 AVWANBVAALBJRQ-AOUKGSSBSA-N. The full InChI is InChI=1S/4C29H27F3N4O3S.C29H28F2N4O3S.C29H29FN4O3S.C27H31ClN4O3S/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;1-18-17-35(19(2)23-12-13-24(30)27(32)26(23)31)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;1-18-15-35(17-22-13-23(30)14-25(31)27(22)32)16-19(2)36(18)29(37)21-8-10-24(11-9-21)34-40(38,39)26-7-3-5-20-6-4-12-33-28(20)26;1-19-16-34(18-21-13-24(30)15-25(31)14-21)17-20(2)35(19)29(36)23-8-10-26(11-9-23)33-39(37,38)27-7-3-5-22-6-4-12-32-28(22)27;1-20-17-33(19-22-8-12-25(30)13-9-22)18-21(2)34(20)29(35)24-10-14-26(15-11-24)32-38(36,37)27-7-3-5-23-6-4-16-31-28(23)27;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/h4*3-14,18-19,34H,15-17H2,1-2H3;3-15,19-20,33H,16-18H2,1-2H3;3-16,20-21,32H,17-19H2,1-2H3;4-5,8-13,16,19-20,30H,2-3,6-7,14-15,17-18H2,1H3/t;2*18-,19?;;;;19-/m.11...0/s1.
What are the key properties of N-[3-chloro-4-[(2S)-4-(cyclopentylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 3884.85 g/mol, XLogP of 36.08, 42 rotatable bonds, 7 hydrogen bond donors, and 35 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;N-[4-[4-[(3,5-difluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,3,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[(4-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]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 157246723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).