4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

C214H272N28O23S11 — CID 157267079

IUPAC4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCC3)cc2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCCC3)cc2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCC(N)C2)cc1.O=S(=O)(c1ccc(CN2CCCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCCCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCSCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N1CCCNCCNCCCNCC1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C24H37N5O2S.C24H35N3O3S.C23H33N3O3S.C22H23N3O2S.C21H21N3O2S.C21H26N2O2S.C20H24N2O3S.C20H24N2O2S2.C20H24N2O2S.C19H25N3O2S/c30-32(31,29-18-5-14-26-16-15-25-12-4-13-27-17-19-29)24-10-8-23(9-11-24)21-28-20-22-6-2-1-3-7-22;1-3-26(4-2)18-19-30-23-12-10-22(11-13-23)25-31(28,29)24-14-8-21(9-15-24)20-27-16-6-5-7-17-27;1-3-25(4-2)17-18-29-22-11-9-21(10-12-22)24-30(27,28)23-13-7-20(8-14-23)19-26-15-5-6-16-26;26-28(27,25-14-12-19-5-1-2-6-20(19)17-25)22-10-8-18(9-11-22)15-23-16-21-7-3-4-13-24-21;25-27(26,24-15-18-5-1-2-6-19(18)16-24)21-10-8-17(9-11-21)13-22-14-20-7-3-4-12-23-20;24-26(25,23-15-12-19-6-2-3-7-20(19)17-23)21-10-8-18(9-11-21)16-22-13-4-1-5-14-22;2*23-26(24,22-10-9-18-3-1-2-4-19(18)16-22)20-7-5-17(6-8-20)15-21-11-13-25-14-12-21;23-25(24,22-14-11-18-5-1-2-6-19(18)16-22)20-9-7-17(8-10-20)15-21-12-3-4-13-21;1-21(13-16-5-3-2-4-6-16)25(23,24)19-9-7-17(8-10-19)14-22-12-11-18(20)15-22/h1-3,6-11,25-28H,4-5,12-21H2;8-15,25H,3-7,16-20H2,1-2H3;7-14,24H,3-6,15-19H2,1-2H3;1-11,13,23H,12,14-17H2;1-12,22H,13-16H2;2-3,6-11H,1,4-5,12-17H2;2*1-8H,9-16H2;1-2,5-10H,3-4,11-16H2;2-10,18H,11-15,20H2,1H3
InChIKeyAYCQGILKPNBHFW-UHFFFAOYSA-N
MW3957.44 g/mol
LogP29.46
Rot. Bonds62

About 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 157267079) has the molecular formula C214H272N28O23S11 and a molecular weight of 3957.44 g/mol. Its IUPAC name is 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID157267079
Molecular FormulaC214H272N28O23S11
Molecular Weight3957.44 g/mol
Exact Mass3953.79
IUPAC Name4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCC3)cc2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCCC3)cc2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCC(N)C2)cc1.O=S(=O)(c1ccc(CN2CCCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCCCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCSCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N1CCCNCCNCCCNCC1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C24H37N5O2S.C24H35N3O3S.C23H33N3O3S.C22H23N3O2S.C21H21N3O2S.C21H26N2O2S.C20H24N2O3S.C20H24N2O2S2.C20H24N2O2S.C19H25N3O2S/c30-32(31,29-18-5-14-26-16-15-25-12-4-13-27-17-19-29)24-10-8-23(9-11-24)21-28-20-22-6-2-1-3-7-22;1-3-26(4-2)18-19-30-23-12-10-22(11-13-23)25-31(28,29)24-14-8-21(9-15-24)20-27-16-6-5-7-17-27;1-3-25(4-2)17-18-29-22-11-9-21(10-12-22)24-30(27,28)23-13-7-20(8-14-23)19-26-15-5-6-16-26;26-28(27,25-14-12-19-5-1-2-6-20(19)17-25)22-10-8-18(9-11-22)15-23-16-21-7-3-4-13-24-21;25-27(26,24-15-18-5-1-2-6-19(18)16-24)21-10-8-17(9-11-21)13-22-14-20-7-3-4-12-23-20;24-26(25,23-15-12-19-6-2-3-7-20(19)17-23)21-10-8-18(9-11-21)16-22-13-4-1-5-14-22;2*23-26(24,22-10-9-18-3-1-2-4-19(18)16-22)20-7-5-17(6-8-20)15-21-11-13-25-14-12-21;23-25(24,22-14-11-18-5-1-2-6-19(18)16-22)20-9-7-17(8-10-20)15-21-12-3-4-13-21;1-21(13-16-5-3-2-4-6-16)25(23,24)19-9-7-17(8-10-19)14-22-12-11-18(20)15-22/h1-3,6-11,25-28H,4-5,12-21H2;8-15,25H,3-7,16-20H2,1-2H3;7-14,24H,3-6,15-19H2,1-2H3;1-11,13,23H,12,14-17H2;1-12,22H,13-16H2;2-3,6-11H,1,4-5,12-17H2;2*1-8H,9-16H2;1-2,5-10H,3-4,11-16H2;2-10,18H,11-15,20H2,1H3
InChIKeyAYCQGILKPNBHFW-UHFFFAOYSA-N
XLogP29.46
TPSA572.21 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds62
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003957.44
LogP ≤ 529.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Analyze 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

N-benzyl-3-(diethylaminomethyl)-N-methylbenzenesulfonamide;N-benzyl-N-methyl-3-[(2-morpholin-4-ylethylamino)methyl]benzenesulfonamide;N-benzyl-N-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 159648316
N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 158106979
N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide
CID 59826267
1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 59826214
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875007
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]morpholine
CID 71063992
4-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methyl]thiomorpholine
CID 59826304
7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59826295
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
1-[4-(1-oxa-5,8,11-triazacyclotetradec-8-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;N-(pyridin-2-ylmethyl)-1-[4-(4,10,17-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methanamine
CID 145418380
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline (CID 157267079) is 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline is CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCC3)cc2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCCC3)cc2)cc1.CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCC(N)C2)cc1.O=S(=O)(c1ccc(CN2CCCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCCCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CN2CCSCC2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N1CCCNCCNCCCNCC1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2ccccc2C1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is AYCQGILKPNBHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2S.C24H35N3O3S.C23H33N3O3S.C22H23N3O2S.C21H21N3O2S.C21H26N2O2S.C20H24N2O3S.C20H24N2O2S2.C20H24N2O2S.C19H25N3O2S/c30-32(31,29-18-5-14-26-16-15-25-12-4-13-27-17-19-29)24-10-8-23(9-11-24)21-28-20-22-6-2-1-3-7-22;1-3-26(4-2)18-19-30-23-12-10-22(11-13-23)25-31(28,29)24-14-8-21(9-15-24)20-27-16-6-5-7-17-27;1-3-25(4-2)17-18-29-22-11-9-21(10-12-22)24-30(27,28)23-13-7-20(8-14-23)19-26-15-5-6-16-26;26-28(27,25-14-12-19-5-1-2-6-20(19)17-25)22-10-8-18(9-11-22)15-23-16-21-7-3-4-13-24-21;25-27(26,24-15-18-5-1-2-6-19(18)16-24)21-10-8-17(9-11-21)13-22-14-20-7-3-4-12-23-20;24-26(25,23-15-12-19-6-2-3-7-20(19)17-23)21-10-8-18(9-11-21)16-22-13-4-1-5-14-22;2*23-26(24,22-10-9-18-3-1-2-4-19(18)16-22)20-7-5-17(6-8-20)15-21-11-13-25-14-12-21;23-25(24,22-14-11-18-5-1-2-6-19(18)16-22)20-9-7-17(8-10-20)15-21-12-3-4-13-21;1-21(13-16-5-3-2-4-6-16)25(23,24)19-9-7-17(8-10-19)14-22-12-11-18(20)15-22/h1-3,6-11,25-28H,4-5,12-21H2;8-15,25H,3-7,16-20H2,1-2H3;7-14,24H,3-6,15-19H2,1-2H3;1-11,13,23H,12,14-17H2;1-12,22H,13-16H2;2-3,6-11H,1,4-5,12-17H2;2*1-8H,9-16H2;1-2,5-10H,3-4,11-16H2;2-10,18H,11-15,20H2,1H3.
What are the key properties of 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline?
4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 3957.44 g/mol, XLogP of 29.46, 62 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopyrrolidin-1-yl)methyl]-N-benzyl-N-methylbenzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(piperidin-1-ylmethyl)benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide;1-[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]morpholine;4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]thiomorpholine;1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine;1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylsulfonyl)phenyl]methyl]methanamine;2-[4-(piperidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline;2-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 157267079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).