5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane

C67H75F20N31O19S3 — CID 159459836

IUPAC5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane
SMILESC.C.CC(=O)C(N)CCC/N=C(\N)NS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CC(=O)C(N)CCC/N=C(\N)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CC(=O)C(N)CCC/N=C(\N)OS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(C(=O)O/C(N)=N/CCCC([NH3+])C(=O)[O-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)O/C(N)=N/CCCC([NH3+])C(=O)[O-])c(F)c1F
InChIInChI=1S/C14H14F4N6O3.C13H15F4N7O3S.C13H14F4N6O4S.C13H12F4N6O4.C12H12F4N6O5S.2CH4/c1-5(25)6(19)3-2-4-22-14(20)27-13(26)7-8(15)10(17)12(23-24-21)11(18)9(7)16;1-5(25)6(18)3-2-4-21-13(19)23-28(26,27)12-9(16)7(14)11(22-24-20)8(15)10(12)17;1-5(24)6(18)3-2-4-21-13(19)27-28(25,26)12-9(16)7(14)11(22-23-20)8(15)10(12)17;14-6-5(7(15)9(17)10(8(6)16)22-23-20)12(26)27-13(19)21-3-1-2-4(18)11(24)25;13-5-7(15)10(8(16)6(14)9(5)21-22-19)28(25,26)27-12(18)20-3-1-2-4(17)11(23)24;;/h6H,2-4,19H2,1H3,(H2,20,22);6H,2-4,18H2,1H3,(H3,19,21,23);6H,2-4,18H2,1H3,(H2,19,21);4H,1-3,18H2,(H2,19,21)(H,24,25);4H,1-3,17H2,(H2,18,20)(H,23,24);2*1H4
InChIKeyLULJJDKNBGWOMX-UHFFFAOYSA-N
MW2094.70 g/mol
LogP6.14
Rot. Bonds38

About 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane

5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane (PubChem CID 159459836) has the molecular formula C67H75F20N31O19S3 and a molecular weight of 2094.70 g/mol. Its IUPAC name is 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane.

Molecular Properties

Compound Name5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane
PubChem CID159459836
Molecular FormulaC67H75F20N31O19S3
Molecular Weight2094.70 g/mol
Exact Mass2093.47
IUPAC Name5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane
SMILESC.C.CC(=O)C(N)CCC/N=C(\N)NS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CC(=O)C(N)CCC/N=C(\N)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CC(=O)C(N)CCC/N=C(\N)OS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(C(=O)O/C(N)=N/CCCC([NH3+])C(=O)[O-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)O/C(N)=N/CCCC([NH3+])C(=O)[O-])c(F)c1F
InChIInChI=1S/C14H14F4N6O3.C13H15F4N7O3S.C13H14F4N6O4S.C13H12F4N6O4.C12H12F4N6O5S.2CH4/c1-5(25)6(19)3-2-4-22-14(20)27-13(26)7-8(15)10(17)12(23-24-21)11(18)9(7)16;1-5(25)6(18)3-2-4-21-13(19)23-28(26,27)12-9(16)7(14)11(22-24-20)8(15)10(12)17;1-5(24)6(18)3-2-4-21-13(19)27-28(25,26)12-9(16)7(14)11(22-23-20)8(15)10(12)17;14-6-5(7(15)9(17)10(8(6)16)22-23-20)12(26)27-13(19)21-3-1-2-4(18)11(24)25;13-5-7(15)10(8(16)6(14)9(5)21-22-19)28(25,26)27-12(18)20-3-1-2-4(17)11(23)24;;/h6H,2-4,19H2,1H3,(H2,20,22);6H,2-4,18H2,1H3,(H3,19,21,23);6H,2-4,18H2,1H3,(H2,19,21);4H,1-3,18H2,(H2,19,21)(H,24,25);4H,1-3,17H2,(H2,18,20)(H,23,24);2*1H4
InChIKeyLULJJDKNBGWOMX-UHFFFAOYSA-N
XLogP6.14
TPSA886.02 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.70
LogP ≤ 56.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane?
The IUPAC name of 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane (CID 159459836) is 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane.
What is the SMILES notation for 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane?
The canonical SMILES for 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane is C.C.CC(=O)C(N)CCC/N=C(\N)NS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CC(=O)C(N)CCC/N=C(\N)OC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CC(=O)C(N)CCC/N=C(\N)OS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(C(=O)O/C(N)=N/CCCC([NH3+])C(=O)[O-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)O/C(N)=N/CCCC([NH3+])C(=O)[O-])c(F)c1F.
What is the InChIKey of 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane?
The InChIKey is LULJJDKNBGWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N6O3.C13H15F4N7O3S.C13H14F4N6O4S.C13H12F4N6O4.C12H12F4N6O5S.2CH4/c1-5(25)6(19)3-2-4-22-14(20)27-13(26)7-8(15)10(17)12(23-24-21)11(18)9(7)16;1-5(25)6(18)3-2-4-21-13(19)23-28(26,27)12-9(16)7(14)11(22-24-20)8(15)10(12)17;1-5(24)6(18)3-2-4-21-13(19)27-28(25,26)12-9(16)7(14)11(22-23-20)8(15)10(12)17;14-6-5(7(15)9(17)10(8(6)16)22-23-20)12(26)27-13(19)21-3-1-2-4(18)11(24)25;13-5-7(15)10(8(16)6(14)9(5)21-22-19)28(25,26)27-12(18)20-3-1-2-4(17)11(23)24;;/h6H,2-4,19H2,1H3,(H2,20,22);6H,2-4,18H2,1H3,(H3,19,21,23);6H,2-4,18H2,1H3,(H2,19,21);4H,1-3,18H2,(H2,19,21)(H,24,25);4H,1-3,17H2,(H2,18,20)(H,23,24);2*1H4.
What are the key properties of 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane?
5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane has a molecular weight of 2094.70 g/mol, XLogP of 6.14, 38 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethylidene]amino]-2-azaniumylpentanoate;5-[[amino-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxymethylidene]amino]-2-azaniumylpentanoate;2-(4-amino-5-oxohexyl)-1-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylguanidine;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;[N'-(4-amino-5-oxohexyl)carbamimidoyl] 4-azido-2,3,5,6-tetrafluorobenzoate;methane is sourced from PubChem (CID 159459836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).