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

C132H197N19O19S6 — CID 159648316

IUPACN-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
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCN(C(C)C)CC3)c2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCN(C)CC3)c2)cc1.CCN(CC)Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1.CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1.CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCCN2CCOCC2)c1.COCCN(CCOC)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C26H40N4O3S.C24H36N4O3S.C22H31N3O3S.C21H29N3O3S.C20H35N3O5S.C19H26N2O2S/c1-5-28(6-2)18-19-33-25-12-10-24(11-13-25)27-34(31,32)26-9-7-8-23(20-26)21-29-14-16-30(17-15-29)22(3)4;1-4-27(5-2)17-18-31-23-11-9-22(10-12-23)25-32(29,30)24-8-6-7-21(19-24)20-28-15-13-26(3)14-16-28;1-24(19-20-7-3-2-4-8-20)29(26,27)22-10-5-9-21(17-22)18-23-11-6-12-25-13-15-28-16-14-25;1-23(18-19-6-3-2-4-7-19)28(25,26)21-9-5-8-20(16-21)17-22-10-11-24-12-14-27-15-13-24;1-26-13-11-23(12-14-27-2)29(24,25)20-6-3-5-19(17-20)18-21-7-4-8-22-9-15-28-16-10-22;1-4-21(5-2)16-18-12-9-13-19(14-18)24(22,23)20(3)15-17-10-7-6-8-11-17/h7-13,20,22,27H,5-6,14-19,21H2,1-4H3;6-12,19,25H,4-5,13-18,20H2,1-3H3;2-5,7-10,17,23H,6,11-16,18-19H2,1H3;2-9,16,22H,10-15,17-18H2,1H3;3,5-6,17,21H,4,7-16,18H2,1-2H3;6-14H,4-5,15-16H2,1-3H3
InChIKeyMRFUUYWWZRCIHI-UHFFFAOYSA-N
MW2546.54 g/mol
LogP15.07
Rot. Bonds64

About 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

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 (PubChem CID 159648316) has the molecular formula C132H197N19O19S6 and a molecular weight of 2546.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID159648316
Molecular FormulaC132H197N19O19S6
Molecular Weight2546.54 g/mol
Exact Mass2544.34
IUPAC NameN-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
SMILESCCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCN(C(C)C)CC3)c2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCN(C)CC3)c2)cc1.CCN(CC)Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1.CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1.CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCCN2CCOCC2)c1.COCCN(CCOC)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C26H40N4O3S.C24H36N4O3S.C22H31N3O3S.C21H29N3O3S.C20H35N3O5S.C19H26N2O2S/c1-5-28(6-2)18-19-33-25-12-10-24(11-13-25)27-34(31,32)26-9-7-8-23(20-26)21-29-14-16-30(17-15-29)22(3)4;1-4-27(5-2)17-18-31-23-11-9-22(10-12-23)25-32(29,30)24-8-6-7-21(19-24)20-28-15-13-26(3)14-16-28;1-24(19-20-7-3-2-4-8-20)29(26,27)22-10-5-9-21(17-22)18-23-11-6-12-25-13-15-28-16-14-25;1-23(18-19-6-3-2-4-7-19)28(25,26)21-9-5-8-20(16-21)17-22-10-11-24-12-14-27-15-13-24;1-26-13-11-23(12-14-27-2)29(24,25)20-6-3-5-19(17-20)18-21-7-4-8-22-9-15-28-16-10-22;1-4-21(5-2)16-18-12-9-13-19(14-18)24(22,23)20(3)15-17-10-7-6-8-11-17/h7-13,20,22,27H,5-6,14-19,21H2,1-4H3;6-12,19,25H,4-5,13-18,20H2,1-3H3;2-5,7-10,17,23H,6,11-16,18-19H2,1H3;2-9,16,22H,10-15,17-18H2,1H3;3,5-6,17,21H,4,7-16,18H2,1-2H3;6-14H,4-5,15-16H2,1-3H3
InChIKeyMRFUUYWWZRCIHI-UHFFFAOYSA-N
XLogP15.07
TPSA374.96 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds64
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002546.54
LogP ≤ 515.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826213
N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide
CID 59826455
N-[4-[2-(diethylamino)ethoxy]phenyl]-3-(piperidin-1-ylmethyl)benzenesulfonamide
CID 59826267
N-benzyl-4-(diethylaminomethyl)-N-methylbenzenesulfonamide;N,N-dibenzyl-4-[[bis[2-(diethylamino)ethyl]amino]methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-morpholin-4-ylethylamino)methyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;4-[(3-morpholin-4-ylpropylamino)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 159253613
N-benzyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826329
N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 59826289
4-[2-(diethylamino)ethoxy]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylaniline;ethane
CID 145471477
4-[2-(diethylamino)ethoxy]-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylaniline
CID 145471478
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
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCN(C(C)C)CC3)c2)cc1.CCN(CC)CCOc1ccc(NS(=O)(=O)c2cccc(CN3CCN(C)CC3)c2)cc1.CCN(CC)Cc1cccc(S(=O)(=O)N(C)Cc2ccccc2)c1.CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1.CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCCN2CCOCC2)c1.COCCN(CCOC)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1.
What is the InChIKey of 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?
The InChIKey is MRFUUYWWZRCIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3S.C24H36N4O3S.C22H31N3O3S.C21H29N3O3S.C20H35N3O5S.C19H26N2O2S/c1-5-28(6-2)18-19-33-25-12-10-24(11-13-25)27-34(31,32)26-9-7-8-23(20-26)21-29-14-16-30(17-15-29)22(3)4;1-4-27(5-2)17-18-31-23-11-9-22(10-12-23)25-32(29,30)24-8-6-7-21(19-24)20-28-15-13-26(3)14-16-28;1-24(19-20-7-3-2-4-8-20)29(26,27)22-10-5-9-21(17-22)18-23-11-6-12-25-13-15-28-16-14-25;1-23(18-19-6-3-2-4-7-19)28(25,26)21-9-5-8-20(16-21)17-22-10-11-24-12-14-27-15-13-24;1-26-13-11-23(12-14-27-2)29(24,25)20-6-3-5-19(17-20)18-21-7-4-8-22-9-15-28-16-10-22;1-4-21(5-2)16-18-12-9-13-19(14-18)24(22,23)20(3)15-17-10-7-6-8-11-17/h7-13,20,22,27H,5-6,14-19,21H2,1-4H3;6-12,19,25H,4-5,13-18,20H2,1-3H3;2-5,7-10,17,23H,6,11-16,18-19H2,1H3;2-9,16,22H,10-15,17-18H2,1H3;3,5-6,17,21H,4,7-16,18H2,1-2H3;6-14H,4-5,15-16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2546.54 g/mol, XLogP of 15.07, 64 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159648316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).