N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide

C125H163BrCl2N18O32S11 — CID 158064526

About N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 158064526) has the molecular formula C125H163BrCl2N18O32S11 and a molecular weight of 2933.32 g/mol. Its IUPAC name is N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
• PubChem CID: 158064526
• Molecular Formula: C125H163BrCl2N18O32S11
• Molecular Weight: 2933.32 g/mol
• Exact Mass: 2928.72
• IUPAC Name: N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
• SMILES: CN(CCOc1ccc(N)cc1)CCc1ccc(NS(C)(=O)=O)cc1.CN(CCOc1ccc(NS(=O)(=O)Cc2ccc(CS(=O)(=O)Nc3ccc(OCCN(C)CCc4ccc(NS(C)(=O)=O)cc4)cc3)cc2)cc1)CCc1ccc(NS(C)(=O)=O)cc1.CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc(NS(C)(=O)=O)cc1.CNCCc1ccc(NS(C)(=O)=O)cc1.O=S(=O)(Cl)Cc1ccc(CS(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(OCCBr)cc1
• InChI: InChI=1S/C44H56N6O10S4.C19H27N3O5S2.C18H23N3O5S.C18H25N3O3S.C10H16N2O2S.C8H8BrNO3.C8H8Cl2O4S2/c1-49(27-25-35-9-13-39(14-10-35)45-61(3,51)52)29-31-59-43-21-17-41(18-22-43)47-63(55,56)33-37-5-7-38(8-6-37)34-64(57,58)48-42-19-23-44(24-20-42)60-32-30-50(2)28-26-36-11-15-40(16-12-36)46-62(4,53)54;1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26;1-20(13-14-26-18-9-7-17(8-10-18)21(22)23)12-11-15-3-5-16(6-4-15)19-27(2,24)25;1-21(13-14-24-18-9-5-16(19)6-10-18)12-11-15-3-7-17(8-4-15)20-25(2,22)23;1-11-8-7-9-3-5-10(6-4-9)12-15(2,13)14;9-5-6-13-8-3-1-7(2-4-8)10(11)12;9-15(11,12)5-7-1-2-8(4-3-7)6-16(10,13)14/h5-24,45-48H,25-34H2,1-4H3;4-11,20-21H,12-15H2,1-3H3;3-10,19H,11-14H2,1-2H3;3-10,20H,11-14,19H2,1-2H3;3-6,11-12H,7-8H2,1-2H3;1-4H,5-6H2;1-4H,5-6H2
• InChIKey: FLBFBUNAJRQHGL-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 679.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 69
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2933.32
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?

The IUPAC name of N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide (CID 158064526) is N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide is CN(CCOc1ccc(N)cc1)CCc1ccc(NS(C)(=O)=O)cc1.CN(CCOc1ccc(NS(=O)(=O)Cc2ccc(CS(=O)(=O)Nc3ccc(OCCN(C)CCc4ccc(NS(C)(=O)=O)cc4)cc3)cc2)cc1)CCc1ccc(NS(C)(=O)=O)cc1.CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc(NS(C)(=O)=O)cc1.CNCCc1ccc(NS(C)(=O)=O)cc1.O=S(=O)(Cl)Cc1ccc(CS(=O)(=O)Cl)cc1.O=[N+]([O-])c1ccc(OCCBr)cc1.

What is the InChIKey of N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?

The InChIKey is FLBFBUNAJRQHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N6O10S4.C19H27N3O5S2.C18H23N3O5S.C18H25N3O3S.C10H16N2O2S.C8H8BrNO3.C8H8Cl2O4S2/c1-49(27-25-35-9-13-39(14-10-35)45-61(3,51)52)29-31-59-43-21-17-41(18-22-43)47-63(55,56)33-37-5-7-38(8-6-37)34-64(57,58)48-42-19-23-44(24-20-42)60-32-30-50(2)28-26-36-11-15-40(16-12-36)46-62(4,53)54;1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26;1-20(13-14-26-18-9-7-17(8-10-18)21(22)23)12-11-15-3-5-16(6-4-15)19-27(2,24)25;1-21(13-14-24-18-9-5-16(19)6-10-18)12-11-15-3-7-17(8-4-15)20-25(2,22)23;1-11-8-7-9-3-5-10(6-4-9)12-15(2,13)14;9-5-6-13-8-3-1-7(2-4-8)10(11)12;9-15(11,12)5-7-1-2-8(4-3-7)6-16(10,13)14/h5-24,45-48H,25-34H2,1-4H3;4-11,20-21H,12-15H2,1-3H3;3-10,19H,11-14H2,1-2H3;3-10,20H,11-14,19H2,1-2H3;3-6,11-12H,7-8H2,1-2H3;1-4H,5-6H2;1-4H,5-6H2.

What are the key properties of N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide?

N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 2933.32 g/mol, XLogP of 17.13, 69 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]phenyl]methanesulfonamide;1-(2-bromoethoxy)-4-nitrobenzene;[4-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide;N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]-1-[4-[[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]sulfamoylmethyl]phenyl]methanesulfonamide;N-[4-[2-(methylamino)ethyl]phenyl]methanesulfonamide;N-[4-[2-[methyl-[2-(4-nitrophenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 158064526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).