sodium N-(2-fluoro-4-iodophenyl)sulfamate

C6H4FINNaO3S — CID 23674125

IUPACsodium N-(2-fluoro-4-iodophenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccc(I)cc1F.[Na+]
InChIInChI=1S/C6H5FINO3S.Na/c7-5-3-4(8)1-2-6(5)9-13(10,11)12;/h1-3,9H,(H,10,11,12);/q;+1/p-1
InChIKeyLGYZQWFWXMYXPX-UHFFFAOYSA-M
MW339.06 g/mol
LogP-1.69
Rot. Bonds2

About sodium N-(2-fluoro-4-iodophenyl)sulfamate

sodium N-(2-fluoro-4-iodophenyl)sulfamate (PubChem CID 23674125) has the molecular formula C6H4FINNaO3S and a molecular weight of 339.06 g/mol. Its IUPAC name is sodium N-(2-fluoro-4-iodophenyl)sulfamate.

Molecular Properties

Compound Namesodium N-(2-fluoro-4-iodophenyl)sulfamate
PubChem CID23674125
Molecular FormulaC6H4FINNaO3S
Molecular Weight339.06 g/mol
Exact Mass338.88
IUPAC Namesodium N-(2-fluoro-4-iodophenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccc(I)cc1F.[Na+]
InChIInChI=1S/C6H5FINO3S.Na/c7-5-3-4(8)1-2-6(5)9-13(10,11)12;/h1-3,9H,(H,10,11,12);/q;+1/p-1
InChIKeyLGYZQWFWXMYXPX-UHFFFAOYSA-M
XLogP-1.69
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium N-(4-chloro-2-fluorophenyl)sulfamate
CID 23674123
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
4-(1,1-difluoroethoxy)-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 162599033
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide
CID 3804697
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
1,2-difluoro-4-iodobenzene
CID 2724444

Frequently Asked Questions

What is the IUPAC name of sodium N-(2-fluoro-4-iodophenyl)sulfamate?
The IUPAC name of sodium N-(2-fluoro-4-iodophenyl)sulfamate (CID 23674125) is sodium N-(2-fluoro-4-iodophenyl)sulfamate.
What is the SMILES notation for sodium N-(2-fluoro-4-iodophenyl)sulfamate?
The canonical SMILES for sodium N-(2-fluoro-4-iodophenyl)sulfamate is O=S(=O)([O-])Nc1ccc(I)cc1F.[Na+].
What is the InChIKey of sodium N-(2-fluoro-4-iodophenyl)sulfamate?
The InChIKey is LGYZQWFWXMYXPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5FINO3S.Na/c7-5-3-4(8)1-2-6(5)9-13(10,11)12;/h1-3,9H,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-(2-fluoro-4-iodophenyl)sulfamate?
sodium N-(2-fluoro-4-iodophenyl)sulfamate has a molecular weight of 339.06 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(2-fluoro-4-iodophenyl)sulfamate is sourced from PubChem (CID 23674125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).