2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide

C175H214Cl2F4N30O28S8 — CID 172951347

IUPAC2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc2c(c1)CCC(CCCCN1CCN(c3ccncc3)S1(=O)=O)O2.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)ccc21.CCn1cc(-c2ccc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)cc2)cn1.O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C24H26ClN3O3S.C23H24ClN3O4S.C23H29N5O3S.2C23H30N4O4S.C22H31N5O4S.C19H22F3N3O3S.C18H22FN3O3S/c25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23;24-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-26-13-14-27(32(26,28)29)22-9-11-25-12-10-22;1-2-26-19-21(18-25-26)20-6-8-23(9-7-20)31-17-5-3-4-14-27-15-16-28(32(27,29)30)22-10-12-24-13-11-22;1-2-30-25-18-19-6-9-23-20(17-19)7-8-22(31-23)5-3-4-14-26-15-16-27(32(26,28)29)21-10-12-24-13-11-21;1-2-31-25-23-9-6-19-18-21(7-8-22(19)23)30-17-5-3-4-14-26-15-16-27(32(26,28)29)20-10-12-24-13-11-20;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;20-19(21,22)16-4-6-18(7-5-16)28-15-3-1-2-12-24-13-14-25(29(24,26)27)17-8-10-23-11-9-17;19-16-4-6-18(7-5-16)25-15-3-1-2-12-21-13-14-22(26(21,23)24)17-8-10-20-11-9-17/h4-15H,1-3,16-19H2;1-12H,13-18H2;6-13,18-19H,2-5,14-17H2,1H3;6,9-13,17-18,22H,2-5,7-8,14-16H2,1H3;7-8,10-13,18H,2-6,9,14-17H2,1H3;4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);4-11H,1-3,12-15H2;4-11H,1-3,12-15H2/b;;;25-18+;25-23+;25-17+;;
InChIKeySRQSIKTUSQKKTH-WAPSITFESA-N
MW3589.25 g/mol
LogP28.68
Rot. Bonds74

About 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 172951347) has the molecular formula C175H214Cl2F4N30O28S8 and a molecular weight of 3589.25 g/mol. Its IUPAC name is 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID172951347
Molecular FormulaC175H214Cl2F4N30O28S8
Molecular Weight3589.25 g/mol
Exact Mass3585.33
IUPAC Name2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc2c(c1)CCC(CCCCN1CCN(c3ccncc3)S1(=O)=O)O2.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)ccc21.CCn1cc(-c2ccc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)cc2)cn1.O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1
InChIInChI=1S/C24H26ClN3O3S.C23H24ClN3O4S.C23H29N5O3S.2C23H30N4O4S.C22H31N5O4S.C19H22F3N3O3S.C18H22FN3O3S/c25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23;24-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-26-13-14-27(32(26,28)29)22-9-11-25-12-10-22;1-2-26-19-21(18-25-26)20-6-8-23(9-7-20)31-17-5-3-4-14-27-15-16-28(32(27,29)30)22-10-12-24-13-11-22;1-2-30-25-18-19-6-9-23-20(17-19)7-8-22(31-23)5-3-4-14-26-15-16-27(32(26,28)29)21-10-12-24-13-11-21;1-2-31-25-23-9-6-19-18-21(7-8-22(19)23)30-17-5-3-4-14-26-15-16-27(32(26,28)29)20-10-12-24-13-11-20;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;20-19(21,22)16-4-6-18(7-5-16)28-15-3-1-2-12-24-13-14-25(29(24,26)27)17-8-10-23-11-9-17;19-16-4-6-18(7-5-16)25-15-3-1-2-12-21-13-14-22(26(21,23)24)17-8-10-20-11-9-17/h4-15H,1-3,16-19H2;1-12H,13-18H2;6-13,18-19H,2-5,14-17H2,1H3;6,9-13,17-18,22H,2-5,7-8,14-16H2,1H3;7-8,10-13,18H,2-6,9,14-17H2,1H3;4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);4-11H,1-3,12-15H2;4-11H,1-3,12-15H2/b;;;25-18+;25-23+;25-17+;;
InChIKeySRQSIKTUSQKKTH-WAPSITFESA-N
XLogP28.68
TPSA619.76 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds74
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003589.25
LogP ≤ 528.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 172951347) is 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide is CCO/N=C/c1ccc(OCCC(C)CCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1.CCO/N=C/c1ccc2c(c1)CCC(CCCCN1CCN(c3ccncc3)S1(=O)=O)O2.CCO/N=C1\CCc2cc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)ccc21.CCn1cc(-c2ccc(OCCCCCN3CCN(c4ccncc4)S3(=O)=O)cc2)cn1.O=S1(=O)N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCCCCOc2ccc(F)cc2)CCN1c1ccncc1.O=S1(=O)N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1.
What is the InChIKey of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is SRQSIKTUSQKKTH-WAPSITFESA-N. The full InChI is InChI=1S/C24H26ClN3O3S.C23H24ClN3O4S.C23H29N5O3S.2C23H30N4O4S.C22H31N5O4S.C19H22F3N3O3S.C18H22FN3O3S/c25-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-27-17-18-28(32(27,29)30)23-12-14-26-15-13-23;24-21-5-1-19(2-6-21)20-3-7-23(8-4-20)31-18-17-30-16-15-26-13-14-27(32(26,28)29)22-9-11-25-12-10-22;1-2-26-19-21(18-25-26)20-6-8-23(9-7-20)31-17-5-3-4-14-27-15-16-28(32(27,29)30)22-10-12-24-13-11-22;1-2-30-25-18-19-6-9-23-20(17-19)7-8-22(31-23)5-3-4-14-26-15-16-27(32(26,28)29)21-10-12-24-13-11-21;1-2-31-25-23-9-6-19-18-21(7-8-22(19)23)30-17-5-3-4-14-26-15-16-27(32(26,28)29)20-10-12-24-13-11-20;1-3-31-25-17-19-4-6-21(7-5-19)30-15-10-18(2)9-12-26-13-14-27(32(26,28)29)20-8-11-24-22(23)16-20;20-19(21,22)16-4-6-18(7-5-16)28-15-3-1-2-12-24-13-14-25(29(24,26)27)17-8-10-23-11-9-17;19-16-4-6-18(7-5-16)25-15-3-1-2-12-21-13-14-22(26(21,23)24)17-8-10-20-11-9-17/h4-15H,1-3,16-19H2;1-12H,13-18H2;6-13,18-19H,2-5,14-17H2,1H3;6,9-13,17-18,22H,2-5,7-8,14-16H2,1H3;7-8,10-13,18H,2-6,9,14-17H2,1H3;4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,23,24);4-11H,1-3,12-15H2;4-11H,1-3,12-15H2/b;;;25-18+;25-23+;25-17+;;.
What are the key properties of 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 3589.25 g/mol, XLogP of 28.68, 74 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(4-chlorophenyl)phenoxy]ethoxy]ethyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;(E)-1-[2-[4-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)butyl]-3,4-dihydro-2H-chromen-6-yl]-N-ethoxymethanimine;(E)-5-[5-(1,1-dioxo-5-pyridin-4-yl-1,2,5-thiadiazolidin-2-yl)pentoxy]-N-ethoxy-2,3-dihydroinden-1-imine;4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine;2-[5-[4-(1-ethylpyrazol-4-yl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-[5-(4-fluorophenoxy)pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide;2-pyridin-4-yl-5-[5-[4-(trifluoromethyl)phenoxy]pentyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 172951347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).