(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C199H180Cl4F8N24O24S7 — CID 157273980

IUPAC(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl)N1CCN(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C30H28F3N3O3S.C29H27Cl2N3O3S.C29H28ClN3O3S.C28H26ClN3O3S.C28H24F2N4O4S.C28H25FN4O4S.C27H22F2N4O4S/c1-21-18-24(9-10-25(21)20-40(38,39)27-6-2-4-23-5-3-13-34-28(23)27)29(37)36-16-14-35(15-17-36)19-22-7-11-26(12-8-22)30(31,32)33;1-20-16-22(29(35)34-14-12-33(13-15-34)18-23-9-10-25(30)17-26(23)31)7-8-24(20)19-38(36,37)27-6-2-4-21-5-3-11-32-28(21)27;1-21-18-24(29(34)33-16-14-32(15-17-33)19-22-7-11-26(30)12-8-22)9-10-25(21)20-37(35,36)27-6-2-4-23-5-3-13-31-28(23)27;29-25-18-22(20-36(34,35)26-10-4-8-23-9-5-13-30-27(23)26)11-12-24(25)28(33)32-16-14-31(15-17-32)19-21-6-2-1-3-7-21;29-22-9-6-19(7-10-22)17-26(35)33-13-15-34(16-14-33)28(36)21-8-11-24(23(30)18-21)32-39(37,38)25-5-1-3-20-4-2-12-31-27(20)25;29-23-19-22(28(35)33-16-14-32(15-17-33)26(34)18-20-6-2-1-3-7-20)11-12-24(23)31-38(36,37)25-10-4-8-21-9-5-13-30-27(21)25;28-21-8-2-1-7-20(21)27(35)33-15-13-32(14-16-33)26(34)19-10-11-23(22(29)17-19)31-38(36,37)24-9-3-5-18-6-4-12-30-25(18)24/h2-13,18H,14-17,19-20H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;1-13,18H,14-17,19-20H2;1-12,18,32H,13-17H2;1-13,19,31H,14-18H2;1-12,17,31H,13-16H2
InChIKeyAYWHVJBRKVAPGG-UHFFFAOYSA-N
MW3810.04 g/mol
LogP32.68
Rot. Bonds41

About (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 157273980) has the molecular formula C199H180Cl4F8N24O24S7 and a molecular weight of 3810.04 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID157273980
Molecular FormulaC199H180Cl4F8N24O24S7
Molecular Weight3810.04 g/mol
Exact Mass3805.03
IUPAC Name(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl)N1CCN(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C30H28F3N3O3S.C29H27Cl2N3O3S.C29H28ClN3O3S.C28H26ClN3O3S.C28H24F2N4O4S.C28H25FN4O4S.C27H22F2N4O4S/c1-21-18-24(9-10-25(21)20-40(38,39)27-6-2-4-23-5-3-13-34-28(23)27)29(37)36-16-14-35(15-17-36)19-22-7-11-26(12-8-22)30(31,32)33;1-20-16-22(29(35)34-14-12-33(13-15-34)18-23-9-10-25(30)17-26(23)31)7-8-24(20)19-38(36,37)27-6-2-4-21-5-3-11-32-28(21)27;1-21-18-24(29(34)33-16-14-32(15-17-33)19-22-7-11-26(30)12-8-22)9-10-25(21)20-37(35,36)27-6-2-4-23-5-3-13-31-28(23)27;29-25-18-22(20-36(34,35)26-10-4-8-23-9-5-13-30-27(23)26)11-12-24(25)28(33)32-16-14-31(15-17-32)19-21-6-2-1-3-7-21;29-22-9-6-19(7-10-22)17-26(35)33-13-15-34(16-14-33)28(36)21-8-11-24(23(30)18-21)32-39(37,38)25-5-1-3-20-4-2-12-31-27(20)25;29-23-19-22(28(35)33-16-14-32(15-17-33)26(34)18-20-6-2-1-3-7-20)11-12-24(23)31-38(36,37)25-10-4-8-21-9-5-13-30-27(21)25;28-21-8-2-1-7-20(21)27(35)33-15-13-32(14-16-33)26(34)19-10-11-23(22(29)17-19)31-38(36,37)24-9-3-5-18-6-4-12-30-25(18)24/h2-13,18H,14-17,19-20H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;1-13,18H,14-17,19-20H2;1-12,18,32H,13-17H2;1-13,19,31H,14-18H2;1-12,17,31H,13-16H2
InChIKeyAYWHVJBRKVAPGG-UHFFFAOYSA-N
XLogP32.68
TPSA581.36 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003810.04
LogP ≤ 532.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

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
1-chloro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-5-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylaniline;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfinamide;4-propan-2-ylbenzenesulfinamide;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;N-(2-propan-2-ylphenyl)formamide;(2-propan-2-ylphenyl)methanesulfinate;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1-propan-2-yl-4-(trifluoromethyl)benzene;sulfur monoxide
CID 159024313
[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
[4-[[3-[8-[(Z)-[4-[4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-fluoroanilino]-ethylidene-lambda4-sulfanyl]quinolin-4-yl]cyclohexyl]methyl]piperazin-1-yl]-[4-[[(Z)-ethylidene(quinolin-8-yl)-lambda4-sulfanyl]amino]-3-methylphenyl]methanone
CID 163435629
3-[3-[[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]sulfamoyl]-4-(methylideneamino)-5-[(Z)-prop-1-enyl]phenyl]-N-[2-fluoro-4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 170079515
3-[8-[[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]sulfamoyl]quinolin-6-yl]-N-[2-fluoro-4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 170083291
N-[4-(4-benzylpiperazine-1-carbonyl)-2-methylphenyl]-3-[4-[[4-[2-chloro-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 129042936
N-[4-(4-benzylpiperazine-1-carbonyl)-2-methylphenyl]-4-[3-[[4-[2-chloro-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 129043254
1-Amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline
CID 157144323
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

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 157273980) is (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1Cl)N1CCN(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is AYWHVJBRKVAPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O3S.C29H27Cl2N3O3S.C29H28ClN3O3S.C28H26ClN3O3S.C28H24F2N4O4S.C28H25FN4O4S.C27H22F2N4O4S/c1-21-18-24(9-10-25(21)20-40(38,39)27-6-2-4-23-5-3-13-34-28(23)27)29(37)36-16-14-35(15-17-36)19-22-7-11-26(12-8-22)30(31,32)33;1-20-16-22(29(35)34-14-12-33(13-15-34)18-23-9-10-25(30)17-26(23)31)7-8-24(20)19-38(36,37)27-6-2-4-21-5-3-11-32-28(21)27;1-21-18-24(29(34)33-16-14-32(15-17-33)19-22-7-11-26(30)12-8-22)9-10-25(21)20-37(35,36)27-6-2-4-23-5-3-13-31-28(23)27;29-25-18-22(20-36(34,35)26-10-4-8-23-9-5-13-30-27(23)26)11-12-24(25)28(33)32-16-14-31(15-17-32)19-21-6-2-1-3-7-21;29-22-9-6-19(7-10-22)17-26(35)33-13-15-34(16-14-33)28(36)21-8-11-24(23(30)18-21)32-39(37,38)25-5-1-3-20-4-2-12-31-27(20)25;29-23-19-22(28(35)33-16-14-32(15-17-33)26(34)18-20-6-2-1-3-7-20)11-12-24(23)31-38(36,37)25-10-4-8-21-9-5-13-30-27(21)25;28-21-8-2-1-7-20(21)27(35)33-15-13-32(14-16-33)26(34)19-10-11-23(22(29)17-19)31-38(36,37)24-9-3-5-18-6-4-12-30-25(18)24/h2-13,18H,14-17,19-20H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;1-13,18H,14-17,19-20H2;1-12,18,32H,13-17H2;1-13,19,31H,14-18H2;1-12,17,31H,13-16H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 3810.04 g/mol, XLogP of 32.68, 41 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 157273980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).