2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide

C13H7I4NO3S — CID 152996078

IUPAC2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1I)c1cc(I)cc(I)c1I
InChIInChI=1S/C13H7I4NO3S/c14-7-5-8(12(17)10(16)6-7)13(19)18-22(20,21)11-4-2-1-3-9(11)15/h1-6H,(H,18,19)
InChIKeyUXFOFQNYOGEWCJ-UHFFFAOYSA-N
MW764.89 g/mol
LogP4.22
Rot. Bonds3

About 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide

2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide (PubChem CID 152996078) has the molecular formula C13H7I4NO3S and a molecular weight of 764.89 g/mol. Its IUPAC name is 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide
PubChem CID152996078
Molecular FormulaC13H7I4NO3S
Molecular Weight764.89 g/mol
Exact Mass764.63
IUPAC Name2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1I)c1cc(I)cc(I)c1I
InChIInChI=1S/C13H7I4NO3S/c14-7-5-8(12(17)10(16)6-7)13(19)18-22(20,21)11-4-2-1-3-9(11)15/h1-6H,(H,18,19)
InChIKeyUXFOFQNYOGEWCJ-UHFFFAOYSA-N
XLogP4.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.89
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-triiodobenzohydrazide
CID 15515243
N-butylsulfonyl-2,3,5-triiodobenzamide
CID 153287282
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
2,3,5-triiodo-N-(2,4,6-tricyclopentylphenyl)sulfonylbenzamide
CID 153287257
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
N-[(1S)-2-hydroxy-1-phenylethyl]-2,3,5-triiodobenzamide
CID 107863447
N-[3,5-bis(phenylsulfanyl)phenyl]-2,3,5-triiodobenzamide
CID 46501325
2-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788214
4-[(2,3,5-triiodobenzoyl)amino]benzoic acid
CID 63405162
1-(2,3,5-triiodophenyl)ethanone
CID 66827286
trifluoromethylsulfonyl-[2-[(2,3,5-triiodobenzoyl)amino]ethyl]azanide
CID 162771697
N-[3-(hydroxymethyl)phenyl]-2,3,5-triiodobenzamide
CID 60629840

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide?
The IUPAC name of 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide (CID 152996078) is 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide.
What is the SMILES notation for 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide?
The canonical SMILES for 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccccc1I)c1cc(I)cc(I)c1I.
What is the InChIKey of 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide?
The InChIKey is UXFOFQNYOGEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7I4NO3S/c14-7-5-8(12(17)10(16)6-7)13(19)18-22(20,21)11-4-2-1-3-9(11)15/h1-6H,(H,18,19).
What are the key properties of 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide?
2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide has a molecular weight of 764.89 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide is sourced from PubChem (CID 152996078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).