bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate

C154H250N18O72S18 — CID 160717478

IUPACbis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
SMILESCC(C)(C)CS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C.CC(C)(C)S(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)(C)C.CC(C)S(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)C.CCS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC.CS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(C)(=O)=O.O=C(/C=C/C(=O)OCCNS(=O)(=O)C1CCCCC1)OCCNS(=O)(=O)C1CCCCC1.O=C(/C=C/C(=O)OCCNS(=O)(=O)CC1CCCCC1)OCCNS(=O)(=O)CC1CCCCC1.O=C(/C=C/C(=O)OCCNS(=O)(=O)Cc1ccccc1)OCCNS(=O)(=O)Cc1ccccc1.O=C(/C=C/C(=O)OCCNS(=O)(=O)c1ccccc1)OCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H38N2O8S2.C22H26N2O8S2.C20H34N2O8S2.C20H22N2O8S2.C18H34N2O8S2.C16H30N2O8S2.C14H26N2O8S2.C12H22N2O8S2.C10H18N2O8S2/c2*25-21(31-15-13-23-33(27,28)17-19-7-3-1-4-8-19)11-12-22(26)32-16-14-24-34(29,30)18-20-9-5-2-6-10-20;2*23-19(29-15-13-21-31(25,26)17-7-3-1-4-8-17)11-12-20(24)30-16-14-22-32(27,28)18-9-5-2-6-10-18;1-17(2,3)13-29(23,24)19-9-11-27-15(21)7-8-16(22)28-12-10-20-30(25,26)14-18(4,5)6;1-15(2,3)27(21,22)17-9-11-25-13(19)7-8-14(20)26-12-10-18-28(23,24)16(4,5)6;1-11(2)25(19,20)15-7-9-23-13(17)5-6-14(18)24-10-8-16-26(21,22)12(3)4;1-3-23(17,18)13-7-9-21-11(15)5-6-12(16)22-10-8-14-24(19,20)4-2;1-21(15,16)11-5-7-19-9(13)3-4-10(14)20-8-6-12-22(2,17)18/h11-12,19-20,23-24H,1-10,13-18H2;1-12,23-24H,13-18H2;11-12,17-18,21-22H,1-10,13-16H2;1-12,21-22H,13-16H2;7-8,19-20H,9-14H2,1-6H3;7-8,17-18H,9-12H2,1-6H3;5-6,11-12,15-16H,7-10H2,1-4H3;5-6,13-14H,3-4,7-10H2,1-2H3;3-4,11-12H,5-8H2,1-2H3/b4*12-11+;2*8-7+;2*6-5+;4-3+
InChIKeyRSQWPTKPIXQLKG-BSLGGGNTSA-N
MW4082.95 g/mol
LogP0.36
Rot. Bonds108

About bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate

bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate (PubChem CID 160717478) has the molecular formula C154H250N18O72S18 and a molecular weight of 4082.95 g/mol. Its IUPAC name is bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate.

Molecular Properties

Compound Namebis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
PubChem CID160717478
Molecular FormulaC154H250N18O72S18
Molecular Weight4082.95 g/mol
Exact Mass4079.14
IUPAC Namebis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate
SMILESCC(C)(C)CS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C.CC(C)(C)S(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)(C)C.CC(C)S(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)C.CCS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC.CS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(C)(=O)=O.O=C(/C=C/C(=O)OCCNS(=O)(=O)C1CCCCC1)OCCNS(=O)(=O)C1CCCCC1.O=C(/C=C/C(=O)OCCNS(=O)(=O)CC1CCCCC1)OCCNS(=O)(=O)CC1CCCCC1.O=C(/C=C/C(=O)OCCNS(=O)(=O)Cc1ccccc1)OCCNS(=O)(=O)Cc1ccccc1.O=C(/C=C/C(=O)OCCNS(=O)(=O)c1ccccc1)OCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H38N2O8S2.C22H26N2O8S2.C20H34N2O8S2.C20H22N2O8S2.C18H34N2O8S2.C16H30N2O8S2.C14H26N2O8S2.C12H22N2O8S2.C10H18N2O8S2/c2*25-21(31-15-13-23-33(27,28)17-19-7-3-1-4-8-19)11-12-22(26)32-16-14-24-34(29,30)18-20-9-5-2-6-10-20;2*23-19(29-15-13-21-31(25,26)17-7-3-1-4-8-17)11-12-20(24)30-16-14-22-32(27,28)18-9-5-2-6-10-18;1-17(2,3)13-29(23,24)19-9-11-27-15(21)7-8-16(22)28-12-10-20-30(25,26)14-18(4,5)6;1-15(2,3)27(21,22)17-9-11-25-13(19)7-8-14(20)26-12-10-18-28(23,24)16(4,5)6;1-11(2)25(19,20)15-7-9-23-13(17)5-6-14(18)24-10-8-16-26(21,22)12(3)4;1-3-23(17,18)13-7-9-21-11(15)5-6-12(16)22-10-8-14-24(19,20)4-2;1-21(15,16)11-5-7-19-9(13)3-4-10(14)20-8-6-12-22(2,17)18/h11-12,19-20,23-24H,1-10,13-18H2;1-12,23-24H,13-18H2;11-12,17-18,21-22H,1-10,13-16H2;1-12,21-22H,13-16H2;7-8,19-20H,9-14H2,1-6H3;7-8,17-18H,9-12H2,1-6H3;5-6,11-12,15-16H,7-10H2,1-4H3;5-6,13-14H,3-4,7-10H2,1-2H3;3-4,11-12H,5-8H2,1-2H3/b4*12-11+;2*8-7+;2*6-5+;4-3+
InChIKeyRSQWPTKPIXQLKG-BSLGGGNTSA-N
XLogP0.36
TPSA1304.46 Ų
H-Bond Donors18
H-Bond Acceptors72
Rotatable Bonds108
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004082.95
LogP ≤ 50.36
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1072

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'}

Analyze bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
The IUPAC name of bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate (CID 160717478) is bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate.
What is the SMILES notation for bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
The canonical SMILES for bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate is CC(C)(C)CS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C.CC(C)(C)S(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)(C)C.CC(C)S(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)C(C)C.CCS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC.CS(=O)(=O)NCCOC(=O)/C=C/C(=O)OCCNS(C)(=O)=O.O=C(/C=C/C(=O)OCCNS(=O)(=O)C1CCCCC1)OCCNS(=O)(=O)C1CCCCC1.O=C(/C=C/C(=O)OCCNS(=O)(=O)CC1CCCCC1)OCCNS(=O)(=O)CC1CCCCC1.O=C(/C=C/C(=O)OCCNS(=O)(=O)Cc1ccccc1)OCCNS(=O)(=O)Cc1ccccc1.O=C(/C=C/C(=O)OCCNS(=O)(=O)c1ccccc1)OCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
The InChIKey is RSQWPTKPIXQLKG-BSLGGGNTSA-N. The full InChI is InChI=1S/C22H38N2O8S2.C22H26N2O8S2.C20H34N2O8S2.C20H22N2O8S2.C18H34N2O8S2.C16H30N2O8S2.C14H26N2O8S2.C12H22N2O8S2.C10H18N2O8S2/c2*25-21(31-15-13-23-33(27,28)17-19-7-3-1-4-8-19)11-12-22(26)32-16-14-24-34(29,30)18-20-9-5-2-6-10-20;2*23-19(29-15-13-21-31(25,26)17-7-3-1-4-8-17)11-12-20(24)30-16-14-22-32(27,28)18-9-5-2-6-10-18;1-17(2,3)13-29(23,24)19-9-11-27-15(21)7-8-16(22)28-12-10-20-30(25,26)14-18(4,5)6;1-15(2,3)27(21,22)17-9-11-25-13(19)7-8-14(20)26-12-10-18-28(23,24)16(4,5)6;1-11(2)25(19,20)15-7-9-23-13(17)5-6-14(18)24-10-8-16-26(21,22)12(3)4;1-3-23(17,18)13-7-9-21-11(15)5-6-12(16)22-10-8-14-24(19,20)4-2;1-21(15,16)11-5-7-19-9(13)3-4-10(14)20-8-6-12-22(2,17)18/h11-12,19-20,23-24H,1-10,13-18H2;1-12,23-24H,13-18H2;11-12,17-18,21-22H,1-10,13-16H2;1-12,21-22H,13-16H2;7-8,19-20H,9-14H2,1-6H3;7-8,17-18H,9-12H2,1-6H3;5-6,11-12,15-16H,7-10H2,1-4H3;5-6,13-14H,3-4,7-10H2,1-2H3;3-4,11-12H,5-8H2,1-2H3/b4*12-11+;2*8-7+;2*6-5+;4-3+.
What are the key properties of bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate?
bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate has a molecular weight of 4082.95 g/mol, XLogP of 0.36, 108 rotatable bonds, 18 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(benzenesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(benzylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(tert-butylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylmethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(cyclohexylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(2,2-dimethylpropylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(ethylsulfonylamino)ethyl] (E)-but-2-enedioate;bis[2-(methanesulfonamido)ethyl] (E)-but-2-enedioate;bis[2-(propan-2-ylsulfonylamino)ethyl] (E)-but-2-enedioate is sourced from PubChem (CID 160717478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).