4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide

C14H6F8N8O4S2 — CID 58925536

IUPAC4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
SMILES[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)NCCNS(=O)(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)c(F)c1F
InChIInChI=1S/C14H6F8N8O4S2/c15-3-7(19)13(8(20)4(16)11(3)27-29-23)35(31,32)25-1-2-26-36(33,34)14-9(21)5(17)12(28-30-24)6(18)10(14)22/h25-26H,1-2H2
InChIKeyNXOXGUJVOMRDQI-UHFFFAOYSA-N
MW566.37 g/mol
LogP3.94
Rot. Bonds9

About 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide

4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide (PubChem CID 58925536) has the molecular formula C14H6F8N8O4S2 and a molecular weight of 566.37 g/mol. Its IUPAC name is 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide.

Molecular Properties

Compound Name4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
PubChem CID58925536
Molecular FormulaC14H6F8N8O4S2
Molecular Weight566.37 g/mol
Exact Mass565.98
IUPAC Name4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
SMILES[N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)NCCNS(=O)(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)c(F)c1F
InChIInChI=1S/C14H6F8N8O4S2/c15-3-7(19)13(8(20)4(16)11(3)27-29-23)35(31,32)25-1-2-26-36(33,34)14-9(21)5(17)12(28-30-24)6(18)10(14)22/h25-26H,1-2H2
InChIKeyNXOXGUJVOMRDQI-UHFFFAOYSA-N
XLogP3.94
TPSA189.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethanesulfonic acid
CID 134574983
2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-trimethylazanium
CID 134574980
4-azido-N-[2-(dimethylamino)ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
CID 90371590
3-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl-dimethylazaniumyl]propane-1-sulfonate
CID 134562370
2-[[2,3,5,6-tetrafluoro-4-(methylideneamino)phenyl]sulfonylamino]ethanesulfonate
CID 153210041
disodium;4-azido-2,3,5,6-tetrafluorobenzenesulfonate;4-azido-2,3,5,6-tetrafluorobenzoate
CID 159603376
3-(prop-2-enoylamino)propyl 4-azido-2,3,5,6-tetrafluorobenzenesulfonate
CID 155381857
4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 155381882
3-[2-[5-[2-[(4-azido-2,3,6-trifluoro-5-methylphenyl)sulfonylamino]ethylamino]-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl]oxyethyl-dimethylazaniumyl]propane-1-sulfonate
CID 158432904
2-azido-3,4,5,6-tetrafluorobenzaldehyde
CID 54024165
N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 118636668
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The IUPAC name of 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide (CID 58925536) is 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide.
What is the SMILES notation for 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The canonical SMILES for 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide is [N-]=[N+]=Nc1c(F)c(F)c(S(=O)(=O)NCCNS(=O)(=O)c2c(F)c(F)c(N=[N+]=[N-])c(F)c2F)c(F)c1F.
What is the InChIKey of 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
The InChIKey is NXOXGUJVOMRDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8N8O4S2/c15-3-7(19)13(8(20)4(16)11(3)27-29-23)35(31,32)25-1-2-26-36(33,34)14-9(21)5(17)12(28-30-24)6(18)10(14)22/h25-26H,1-2H2.
What are the key properties of 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide?
4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide has a molecular weight of 566.37 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide is sourced from PubChem (CID 58925536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).