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

C12H7F3INO2S — CID 3263400

IUPAC2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C12H7F3INO2S/c13-7-1-4-12(10(15)5-7)20(18,19)17-11-3-2-8(16)6-9(11)14/h1-6,17H
InChIKeyIWOXXMZDZZJBHX-UHFFFAOYSA-N
MW413.16 g/mol
LogP3.51
Rot. Bonds3

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

2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide (PubChem CID 3263400) has the molecular formula C12H7F3INO2S and a molecular weight of 413.16 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
PubChem CID3263400
Molecular FormulaC12H7F3INO2S
Molecular Weight413.16 g/mol
Exact Mass412.92
IUPAC Name2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C12H7F3INO2S/c13-7-1-4-12(10(15)5-7)20(18,19)17-11-3-2-8(16)6-9(11)14/h1-6,17H
InChIKeyIWOXXMZDZZJBHX-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

N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
2-amino-N-(2,4-difluorophenyl)-3-fluorobenzenesulfonamide
CID 62058440
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide (CID 3263400) is 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(I)cc1F)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The InChIKey is IWOXXMZDZZJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3INO2S/c13-7-1-4-12(10(15)5-7)20(18,19)17-11-3-2-8(16)6-9(11)14/h1-6,17H.
What are the key properties of 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
2,4-difluoro-N-(2-fluoro-4-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 2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 3263400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).