3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide

C20H16F3IN4O4S — CID 127039308

IUPAC3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide
SMILESCc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O
InChIInChI=1S/C20H16F3IN4O4S/c1-9-13(28-33(26,30)31)3-2-4-15(9)32-16-8-12(22)18(23)19(17(16)20(25)29)27-14-6-5-10(24)7-11(14)21/h2-8,27-28H,1H3,(H2,25,29)(H2,26,30,31)
InChIKeySXZPVVYAPXMNHZ-UHFFFAOYSA-N
MW592.34 g/mol
LogP4.27
Rot. Bonds7

About 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide

3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide (PubChem CID 127039308) has the molecular formula C20H16F3IN4O4S and a molecular weight of 592.34 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide
PubChem CID127039308
Molecular FormulaC20H16F3IN4O4S
Molecular Weight592.34 g/mol
Exact Mass591.99
IUPAC Name3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide
SMILESCc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O
InChIInChI=1S/C20H16F3IN4O4S/c1-9-13(28-33(26,30)31)3-2-4-15(9)32-16-8-12(22)18(23)19(17(16)20(25)29)27-14-6-5-10(24)7-11(14)21/h2-8,27-28H,1H3,(H2,25,29)(H2,26,30,31)
InChIKeySXZPVVYAPXMNHZ-UHFFFAOYSA-N
XLogP4.27
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.34
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
2-([3r-3,4-Dihydroxybutyl]oxy)-4-Fluoro-6-[(2-Fluoro-4-Iodophenyl)amino]benzamide
CID 57625005
4-Fluoro-2-(2-fluoro-4-iodo-phenylamino)-6-(3-isobutyrylamino-phenoxy)-benzamide
CID 44468504
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzamide
CID 44469046
2-[3-[[(Dimethylamino)sulfonyl]amino]phenoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]-benzamide
CID 44469440
2-(4-Acetamidophenoxy)-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 44469586
4-Fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(sulfamoylmethyl)phenoxy]benzamide
CID 44469864
4-Fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(pyrrolidin-1-ylsulfonylamino)phenoxy]benzamide
CID 44470284
2-(3-Ethanesulfonylamino-phenoxy)-4-fluoro-6-(2-fluoro-4-iodo-phenylamino)-benzamide
CID 46186796
4-Fluoro-2-(2-fluoro-4-iodo-phenylamino)-6-[3-(propane-2-sulfonylamino)-phenoxy]-benzamide
CID 46195697
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide
CID 46196215
3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-{3-[(sulfamoylamino)methyl]phenoxy}benzamide
CID 51347355

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide (CID 127039308) is 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide is Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide?
The InChIKey is SXZPVVYAPXMNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3IN4O4S/c1-9-13(28-33(26,30)31)3-2-4-15(9)32-16-8-12(22)18(23)19(17(16)20(25)29)27-14-6-5-10(24)7-11(14)21/h2-8,27-28H,1H3,(H2,25,29)(H2,26,30,31).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide?
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide has a molecular weight of 592.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide is sourced from PubChem (CID 127039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).