benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate

C163H174N8O44S9 — CID 159612718

About benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate

benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate (PubChem CID 159612718) has the molecular formula C163H174N8O44S9 and a molecular weight of 3237.80 g/mol. Its IUPAC name is benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
• PubChem CID: 159612718
• Molecular Formula: C163H174N8O44S9
• Molecular Weight: 3237.80 g/mol
• Exact Mass: 3234.91
• IUPAC Name: benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
• SMILES: C.C=C(C)C(=O)OCCNC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCNC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(=C)C)cc2)cc1.CN(C)c1ccc(S(=O)(=O)c2ccc(N(C)C)cc2)cc1.COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1.COc1c(C)cc(S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1C.COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.O=S(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H30N4O8S.C26H28N2O10S.C20H18O6S.C18H22O4S.C16H20N2O2S.C16H14O6S.C14H14O4S.C14H14O2S.C12H10O2S.CH4/c1-17(2)23(31)37-15-13-27-25(33)29-19-5-9-21(10-6-19)39(35,36)22-11-7-20(8-12-22)30-26(34)28-14-16-38-24(32)18(3)4;1-17(2)23(29)35-15-13-27-25(31)37-19-5-9-21(10-6-19)39(33,34)22-11-7-20(8-12-22)38-26(32)28-14-16-36-24(30)18(3)4;1-13(2)19(21)25-15-5-9-17(10-6-15)27(23,24)18-11-7-16(8-12-18)26-20(22)14(3)4;1-11-7-15(8-12(2)17(11)21-5)23(19,20)16-9-13(3)18(22-6)14(4)10-16;1-17(2)13-5-9-15(10-6-13)21(19,20)16-11-7-14(8-12-16)18(3)4;1-21-15(17)11-3-7-13(8-4-11)23(19,20)14-9-5-12(6-10-14)16(18)22-2;1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h5-12H,1,3,13-16H2,2,4H3,(H2,27,29,33)(H2,28,30,34);5-12H,1,3,13-16H2,2,4H3,(H,27,31)(H,28,32);5-12H,1,3H2,2,4H3;7-10H,1-6H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;1-10H;1H4
• InChIKey: MMXAYNJVQRGTBH-UHFFFAOYSA-N
• XLogP: 26.76
• TPSA: 719.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 50
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3237.80
LogP ≤ 5	26.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate?

The IUPAC name of benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate (CID 159612718) is benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate.

What is the SMILES notation for benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate?

The canonical SMILES for benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate is C.C=C(C)C(=O)OCCNC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCNC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C(=C)C)cc2)cc1.CN(C)c1ccc(S(=O)(=O)c2ccc(N(C)C)cc2)cc1.COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1.COc1c(C)cc(S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1C.COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.O=S(=O)(c1ccccc1)c1ccccc1.

What is the InChIKey of benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate?

The InChIKey is MMXAYNJVQRGTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O8S.C26H28N2O10S.C20H18O6S.C18H22O4S.C16H20N2O2S.C16H14O6S.C14H14O4S.C14H14O2S.C12H10O2S.CH4/c1-17(2)23(31)37-15-13-27-25(33)29-19-5-9-21(10-6-19)39(35,36)22-11-7-20(8-12-22)30-26(34)28-14-16-38-24(32)18(3)4;1-17(2)23(29)35-15-13-27-25(31)37-19-5-9-21(10-6-19)39(33,34)22-11-7-20(8-12-22)38-26(32)28-14-16-36-24(30)18(3)4;1-13(2)19(21)25-15-5-9-17(10-6-15)27(23,24)18-11-7-16(8-12-18)26-20(22)14(3)4;1-11-7-15(8-12(2)17(11)21-5)23(19,20)16-9-13(3)18(22-6)14(4)10-16;1-17(2)13-5-9-15(10-6-13)21(19,20)16-11-7-14(8-12-16)18(3)4;1-21-15(17)11-3-7-13(8-4-11)23(19,20)14-9-5-12(6-10-14)16(18)22-2;1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h5-12H,1,3,13-16H2,2,4H3,(H2,27,29,33)(H2,28,30,34);5-12H,1,3,13-16H2,2,4H3,(H,27,31)(H,28,32);5-12H,1,3H2,2,4H3;7-10H,1-6H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;1-10H;1H4.

What are the key properties of benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate?

benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate has a molecular weight of 3237.80 g/mol, XLogP of 26.76, 50 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonylbenzene;4-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylaniline;methane;2-methoxy-5-(4-methoxy-3,5-dimethylphenyl)sulfonyl-1,3-dimethylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate;2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]sulfonylphenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159612718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).