2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide

C12H11FIN3O2S — CID 115992857

IUPAC2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
SMILESNc1c(Nc2ccc(F)cc2I)cccc1S(N)(=O)=O
InChIInChI=1S/C12H11FIN3O2S/c13-7-4-5-9(8(14)6-7)17-10-2-1-3-11(12(10)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyYVAARIVOWMCWPP-UHFFFAOYSA-N
MW407.21 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide

2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide (PubChem CID 115992857) has the molecular formula C12H11FIN3O2S and a molecular weight of 407.21 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
PubChem CID115992857
Molecular FormulaC12H11FIN3O2S
Molecular Weight407.21 g/mol
Exact Mass406.96
IUPAC Name2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
SMILESNc1c(Nc2ccc(F)cc2I)cccc1S(N)(=O)=O
InChIInChI=1S/C12H11FIN3O2S/c13-7-4-5-9(8(14)6-7)17-10-2-1-3-11(12(10)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19)
InChIKeyYVAARIVOWMCWPP-UHFFFAOYSA-N
XLogP2.40
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,5-difluoroanilino)benzenesulfonamide
CID 115992299
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
2-amino-3-[(2,5-difluorophenyl)methylamino]benzenesulfonamide
CID 115992748
4-fluoro-2-iodobenzenesulfonamide
CID 112729762
3-amino-5-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 79769202
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
2-amino-3-iodobenzenesulfonamide
CID 118996244
2-amino-3-(2-bromo-5-methylanilino)benzenesulfonamide
CID 115992915
2-amino-3-(2,6-dichloroanilino)benzenesulfonamide
CID 115992809

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide (CID 115992857) is 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide is Nc1c(Nc2ccc(F)cc2I)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide?
The InChIKey is YVAARIVOWMCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3O2S/c13-7-4-5-9(8(14)6-7)17-10-2-1-3-11(12(10)15)20(16,18)19/h1-6,17H,15H2,(H2,16,18,19).
What are the key properties of 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide?
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide has a molecular weight of 407.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide is sourced from PubChem (CID 115992857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).