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

C165H222N20O18S6 — CID 159253613

About 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

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 (PubChem CID 159253613) has the molecular formula C165H222N20O18S6 and a molecular weight of 2966.11 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159253613
• Molecular Formula: C165H222N20O18S6
• Molecular Weight: 2966.11 g/mol
• Exact Mass: 2963.54
• IUPAC Name: 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
• SMILES: CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)c1cccc2ccccc12.CCN(CC)CCN(CCN(CC)CC)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.CCN(CC)Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.COCCN1CCN(Cc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2)CC1.O=S(=O)(NC1CCCc2ccccc21)c1ccc(CNCCCN2CCOCC2)cc1.O=S(=O)(c1ccc(CNCCN2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C41H46N4O4S.C33H48N4O2S.C27H33N3O3S.C24H33N3O3S.C21H36N4O4S.C19H26N2O2S/c1-33(39-19-10-17-37-16-8-9-18-40(37)39)42-41(46)44(25-11-24-43-26-28-49-29-27-43)30-36-20-22-38(23-21-36)50(47,48)45(31-34-12-4-2-5-13-34)32-35-14-6-3-7-15-35;1-5-34(6-2)23-25-36(26-24-35(7-3)8-4)27-32-19-21-33(22-20-32)40(38,39)37(28-30-15-11-9-12-16-30)29-31-17-13-10-14-18-31;31-34(32,30(22-25-7-3-1-4-8-25)23-26-9-5-2-6-10-26)27-13-11-24(12-14-27)21-28-15-16-29-17-19-33-20-18-29;28-31(29,26-24-8-3-6-21-5-1-2-7-23(21)24)22-11-9-20(10-12-22)19-25-13-4-14-27-15-17-30-18-16-27;1-28-16-13-24-9-11-25(12-10-24)19-20-3-5-21(6-4-20)30(26,27)22-7-2-8-23-14-17-29-18-15-23;1-4-21(5-2)16-18-11-13-19(14-12-18)24(22,23)20(3)15-17-9-7-6-8-10-17/h2-10,12-23,33H,11,24-32H2,1H3,(H,42,46);9-22H,5-8,23-29H2,1-4H3;1-14,28H,15-23H2;1-2,5,7,9-12,24-26H,3-4,6,8,13-19H2;3-6,22H,2,7-19H2,1H3;6-14H,4-5,15-16H2,1-3H3
• InChIKey: KVPNFTQNMAMMDE-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 376.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 71
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2966.11
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)c1cccc2ccccc12.CCN(CC)CCN(CCN(CC)CC)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.CCN(CC)Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.COCCN1CCN(Cc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2)CC1.O=S(=O)(NC1CCCc2ccccc21)c1ccc(CNCCCN2CCOCC2)cc1.O=S(=O)(c1ccc(CNCCN2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1.

What is the InChIKey of 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?

The InChIKey is KVPNFTQNMAMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N4O4S.C33H48N4O2S.C27H33N3O3S.C24H33N3O3S.C21H36N4O4S.C19H26N2O2S/c1-33(39-19-10-17-37-16-8-9-18-40(37)39)42-41(46)44(25-11-24-43-26-28-49-29-27-43)30-36-20-22-38(23-21-36)50(47,48)45(31-34-12-4-2-5-13-34)32-35-14-6-3-7-15-35;1-5-34(6-2)23-25-36(26-24-35(7-3)8-4)27-32-19-21-33(22-20-32)40(38,39)37(28-30-15-11-9-12-16-30)29-31-17-13-10-14-18-31;31-34(32,30(22-25-7-3-1-4-8-25)23-26-9-5-2-6-10-26)27-13-11-24(12-14-27)21-28-15-16-29-17-19-33-20-18-29;28-31(29,26-24-8-3-6-21-5-1-2-7-23(21)24)22-11-9-20(10-12-22)19-25-13-4-14-27-15-17-30-18-16-27;1-28-16-13-24-9-11-25(12-10-24)19-20-3-5-21(6-4-20)30(26,27)22-7-2-8-23-14-17-29-18-15-23;1-4-21(5-2)16-18-11-13-19(14-12-18)24(22,23)20(3)15-17-9-7-6-8-10-17/h2-10,12-23,33H,11,24-32H2,1H3,(H,42,46);9-22H,5-8,23-29H2,1-4H3;1-14,28H,15-23H2;1-2,5,7,9-12,24-26H,3-4,6,8,13-19H2;3-6,22H,2,7-19H2,1H3;6-14H,4-5,15-16H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 2966.11 g/mol, XLogP of 22.94, 71 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159253613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).