2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide

C12H7FI3NO2S — CID 63495225

IUPAC2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(I)cc(I)cc1I)c1ccccc1F
InChIInChI=1S/C12H7FI3NO2S/c13-8-3-1-2-4-11(8)20(18,19)17-12-9(15)5-7(14)6-10(12)16/h1-6,17H
InChIKeyLMHSGBHRGWCTOL-UHFFFAOYSA-N
MW628.97 g/mol
LogP4.44
Rot. Bonds3

About 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide

2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide (PubChem CID 63495225) has the molecular formula C12H7FI3NO2S and a molecular weight of 628.97 g/mol. Its IUPAC name is 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide
PubChem CID63495225
Molecular FormulaC12H7FI3NO2S
Molecular Weight628.97 g/mol
Exact Mass628.73
IUPAC Name2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(I)cc(I)cc1I)c1ccccc1F
InChIInChI=1S/C12H7FI3NO2S/c13-8-3-1-2-4-11(8)20(18,19)17-12-9(15)5-7(14)6-10(12)16/h1-6,17H
InChIKeyLMHSGBHRGWCTOL-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.97
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide (CID 63495225) is 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide is O=S(=O)(Nc1c(I)cc(I)cc1I)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide?
The InChIKey is LMHSGBHRGWCTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FI3NO2S/c13-8-3-1-2-4-11(8)20(18,19)17-12-9(15)5-7(14)6-10(12)16/h1-6,17H.
What are the key properties of 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide?
2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide has a molecular weight of 628.97 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide is sourced from PubChem (CID 63495225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).