N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide

C8H9FINO4S2 — CID 82843139

IUPACN-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C8H9FINO4S2/c1-16(12,13)5-17(14,15)11-8-3-2-6(9)4-7(8)10/h2-4,11H,5H2,1H3
InChIKeyIUHMPFOQGIPUDS-UHFFFAOYSA-N
MW393.20 g/mol
LogP1.17
Rot. Bonds4

About N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide

N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82843139) has the molecular formula C8H9FINO4S2 and a molecular weight of 393.20 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
PubChem CID82843139
Molecular FormulaC8H9FINO4S2
Molecular Weight393.20 g/mol
Exact Mass392.90
IUPAC NameN-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C8H9FINO4S2/c1-16(12,13)5-17(14,15)11-8-3-2-6(9)4-7(8)10/h2-4,11H,5H2,1H3
InChIKeyIUHMPFOQGIPUDS-UHFFFAOYSA-N
XLogP1.17
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
CID 79771397
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
5-amino-2-fluoro-N-(4-fluoro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 80640992
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(2,6-difluoro-3-pyridinyl)-1-methylsulfonylmethanesulfonamide
CID 103098172
N-(2-amino-4-fluorophenyl)-2-methylsulfonylethanesulfonamide
CID 63245465
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide (CID 82843139) is N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is IUHMPFOQGIPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FINO4S2/c1-16(12,13)5-17(14,15)11-8-3-2-6(9)4-7(8)10/h2-4,11H,5H2,1H3.
What are the key properties of N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide?
N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 393.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82843139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).