(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate

C10H8I3N2O4S- — CID 153287290

IUPAC(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate
SMILESCS(=O)(=O)/N=C(/[O-])CNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H9I3N2O4S/c1-20(18,19)15-8(16)4-14-10(17)6-2-5(11)3-7(12)9(6)13/h2-3H,4H2,1H3,(H,14,17)(H,15,16)/p-1
InChIKeyIWMNOMDTYDWIMS-UHFFFAOYSA-M
MW632.96 g/mol
LogP0.95
Rot. Bonds4

About (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate

(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate (PubChem CID 153287290) has the molecular formula C10H8I3N2O4S- and a molecular weight of 632.96 g/mol. Its IUPAC name is (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate.

Molecular Properties

Compound Name(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate
PubChem CID153287290
Molecular FormulaC10H8I3N2O4S-
Molecular Weight632.96 g/mol
Exact Mass632.73
IUPAC Name(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate
SMILESCS(=O)(=O)/N=C(/[O-])CNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C10H9I3N2O4S/c1-20(18,19)15-8(16)4-14-10(17)6-2-5(11)3-7(12)9(6)13/h2-3H,4H2,1H3,(H,14,17)(H,15,16)/p-1
InChIKeyIWMNOMDTYDWIMS-UHFFFAOYSA-M
XLogP0.95
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.96
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate 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

(1E)-N-methylsulfonyl-5-(2,3,5-triiodobenzoyl)oxypentanimidate
CID 153287505
(1E)-N-methylsulfonyl-3-(2,3,5-triiodophenyl)propanimidate
CID 153287238
2,3,5-triiodo-N-propylbenzamide
CID 54149296
2,3,5-triiodobenzohydrazide
CID 15515243
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
(1E)-N-methylsulfonyl-3-(2,3,5-triiodobenzoyl)oxycyclohexane-1-carboximidate
CID 153287315
2,3,5-triiodo-N-prop-2-enylbenzamide
CID 4551510
1,1-difluoro-2-oxo-7-[(2,3,5-triiodobenzoyl)amino]heptane-1-sulfonate
CID 164728151
(2E)-N-methylsulfonyl-6-(2,3,5-triiodobenzoyl)oxy-7-oxabicyclo[2.2.1]heptane-2-carboximidate
CID 153287250
2-[2-[(2,3,5-triiodobenzoyl)amino]propanoyloxy]ethanesulfonic acid
CID 146530725
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
CID 162771697

Frequently Asked Questions

What is the IUPAC name of (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate?
The IUPAC name of (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate (CID 153287290) is (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate.
What is the SMILES notation for (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate?
The canonical SMILES for (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate is CS(=O)(=O)/N=C(/[O-])CNC(=O)c1cc(I)cc(I)c1I.
What is the InChIKey of (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate?
The InChIKey is IWMNOMDTYDWIMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9I3N2O4S/c1-20(18,19)15-8(16)4-14-10(17)6-2-5(11)3-7(12)9(6)13/h2-3H,4H2,1H3,(H,14,17)(H,15,16)/p-1.
What are the key properties of (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate?
(1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate has a molecular weight of 632.96 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methylsulfonyl-2-[(2,3,5-triiodobenzoyl)amino]ethanimidate is sourced from PubChem (CID 153287290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).