2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate

C74H78F28N31O18S5+3 — CID 161204097

About 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate

2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate (PubChem CID 161204097) has the molecular formula C74H78F28N31O18S5+3 and a molecular weight of 2381.92 g/mol. Its IUPAC name is 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate.

Molecular Properties

• Compound Name: 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate
• PubChem CID: 161204097
• Molecular Formula: C74H78F28N31O18S5+3
• Molecular Weight: 2381.92 g/mol
• Exact Mass: 2380.43
• IUPAC Name: 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate
• SMILES: CN(C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CN(C)CCOC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CN(C)CCOS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.C[NH+](C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.C[NH+](C)CCOC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.C[NH+](C)CCOS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)NCCCCC([NH3+])C(=O)[O-])c(F)c1F
• InChI: InChI=1S/C12H13F4N5O4S.2C11H10F4N4O2.2C10H11F4N5O2S.2C10H10F4N4O3S/c13-6-8(15)11(9(16)7(14)10(6)20-21-18)26(24,25)19-4-2-1-3-5(17)12(22)23;2*1-19(2)3-4-21-11(20)5-6(12)8(14)10(17-18-16)9(15)7(5)13;2*1-19(2)4-3-16-22(20,21)10-7(13)5(11)9(17-18-15)6(12)8(10)14;2*1-18(2)3-4-21-22(19,20)10-7(13)5(11)9(16-17-15)6(12)8(10)14/h5,19H,1-4,17H2,(H,22,23);2*3-4H2,1-2H3;2*16H,3-4H2,1-2H3;2*3-4H2,1-2H3/p+3
• InChIKey: UVJFROUJHQMHFW-UHFFFAOYSA-Q
• XLogP: 10.50
• TPSA: 709.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 43
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2381.92
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate?

The IUPAC name of 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate (CID 161204097) is 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate.

What is the SMILES notation for 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate?

The canonical SMILES for 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate is CN(C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CN(C)CCOC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.CN(C)CCOS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.C[NH+](C)CCNS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.C[NH+](C)CCOC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.C[NH+](C)CCOS(=O)(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)NCCCCC([NH3+])C(=O)[O-])c(F)c1F.

What is the InChIKey of 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate?

The InChIKey is UVJFROUJHQMHFW-UHFFFAOYSA-Q. The full InChI is InChI=1S/C12H13F4N5O4S.2C11H10F4N4O2.2C10H11F4N5O2S.2C10H10F4N4O3S/c13-6-8(15)11(9(16)7(14)10(6)20-21-18)26(24,25)19-4-2-1-3-5(17)12(22)23;2*1-19(2)3-4-21-11(20)5-6(12)8(14)10(17-18-16)9(15)7(5)13;2*1-19(2)4-3-16-22(20,21)10-7(13)5(11)9(17-18-15)6(12)8(10)14;2*1-18(2)3-4-21-22(19,20)10-7(13)5(11)9(16-17-15)6(12)8(10)14/h5,19H,1-4,17H2,(H,22,23);2*3-4H2,1-2H3;2*16H,3-4H2,1-2H3;2*3-4H2,1-2H3/p+3.

What are the key properties of 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate?

2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate has a molecular weight of 2381.92 g/mol, XLogP of 10.50, 43 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaniumyl-6-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]hexanoate;4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide;2-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxyethyl-dimethylazanium;2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazanium;2-(4-azido-2,3,5,6-tetrafluorophenyl)sulfonyloxyethyl-dimethylazanium;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate;2-(dimethylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate is sourced from PubChem (CID 161204097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).