3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide

C12H7F3INO2S — CID 79766974

IUPAC3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7F3INO2S/c13-7-1-4-12(11(16)5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H
InChIKeyWAPVDGYVAGUMHI-UHFFFAOYSA-N
MW413.16 g/mol
LogP3.51
Rot. Bonds3

About 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide

3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide (PubChem CID 79766974) has the molecular formula C12H7F3INO2S and a molecular weight of 413.16 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
PubChem CID79766974
Molecular FormulaC12H7F3INO2S
Molecular Weight413.16 g/mol
Exact Mass412.92
IUPAC Name3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)c1ccc(F)c(F)c1
InChIInChI=1S/C12H7F3INO2S/c13-7-1-4-12(11(16)5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H
InChIKeyWAPVDGYVAGUMHI-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.16
LogP ≤ 53.51
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

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-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 79760758
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(4-chloro-2-iodophenyl)-5-fluoropyridine-3-sulfonamide
CID 103763977
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide (CID 79766974) is 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1I)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The InChIKey is WAPVDGYVAGUMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3INO2S/c13-7-1-4-12(11(16)5-7)17-20(18,19)8-2-3-9(14)10(15)6-8/h1-6,17H.
What are the key properties of 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide has a molecular weight of 413.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 79766974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).