2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide

C10H8F3INO4S- — CID 162466929

IUPAC2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
SMILESO=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1ccccc1I
InChIInChI=1S/C10H8F3INO4S/c11-10(12,13)20(17,18)15-5-6-19-9(16)7-3-1-2-4-8(7)14/h1-4H,5-6H2/q-1
InChIKeyDEZVWGVMFMOJNE-UHFFFAOYSA-N
MW422.14 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide

2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide (PubChem CID 162466929) has the molecular formula C10H8F3INO4S- and a molecular weight of 422.14 g/mol. Its IUPAC name is 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
PubChem CID162466929
Molecular FormulaC10H8F3INO4S-
Molecular Weight422.14 g/mol
Exact Mass421.92
IUPAC Name2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
SMILESO=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1ccccc1I
InChIInChI=1S/C10H8F3INO4S/c11-10(12,13)20(17,18)15-5-6-19-9(16)7-3-1-2-4-8(7)14/h1-4H,5-6H2/q-1
InChIKeyDEZVWGVMFMOJNE-UHFFFAOYSA-N
XLogP2.67
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide 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-(2,3,4,5,6-pentaiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
CID 162466952
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
2-(3-acetyloxy-4-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide
CID 162466851
2-[methyl(propan-2-yl)amino]ethyl 2-iodobenzoate
CID 2275476
2-[methyl(propan-2-yl)amino]ethyl 2-iodobenzoate;hydrochloride
CID 2893252
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
(3-ethoxy-3-oxopropyl) 2-iodobenzoate
CID 119090059
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 8601845
2-thiomorpholin-4-ylethyl 2-iodobenzoate
CID 146365991
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-(2-acetyloxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;bis(2-(3,5-diiodo-2-methoxybenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide);2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-iodobenzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide;2-(2-hydroxy-3,5-diiodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide;2-[3-iodo-4-(phenylmethoxycarbonylamino)benzoyl]oxyethyl-(trifluoromethylsulfonyl)azanide
CID 163821820
(2-iodobenzoyl)oxyboronic acid
CID 134957148

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide (CID 162466929) is 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide is O=C(OCC[N-]S(=O)(=O)C(F)(F)F)c1ccccc1I.
What is the InChIKey of 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is DEZVWGVMFMOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3INO4S/c11-10(12,13)20(17,18)15-5-6-19-9(16)7-3-1-2-4-8(7)14/h1-4H,5-6H2/q-1.
What are the key properties of 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide?
2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 422.14 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodobenzoyl)oxyethyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 162466929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).