N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide

C16H14F3IN2O2S — CID 53492153

IUPACN-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
SMILESCN(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)S(=O)(=O)C1CC1
InChIInChI=1S/C16H14F3IN2O2S/c1-22(25(23,24)10-3-4-10)14-7-5-11(17)15(19)16(14)21-13-6-2-9(20)8-12(13)18/h2,5-8,10,21H,3-4H2,1H3
InChIKeyXSPQMZQPXNTOOE-UHFFFAOYSA-N
MW482.27 g/mol
LogP4.38
Rot. Bonds5

About N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide

N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide (PubChem CID 53492153) has the molecular formula C16H14F3IN2O2S and a molecular weight of 482.27 g/mol. Its IUPAC name is N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
PubChem CID53492153
Molecular FormulaC16H14F3IN2O2S
Molecular Weight482.27 g/mol
Exact Mass481.98
IUPAC NameN-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
SMILESCN(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)S(=O)(=O)C1CC1
InChIInChI=1S/C16H14F3IN2O2S/c1-22(25(23,24)10-3-4-10)14-7-5-11(17)15(19)16(14)21-13-6-2-9(20)8-12(13)18/h2,5-8,10,21H,3-4H2,1H3
InChIKeyXSPQMZQPXNTOOE-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-3-(2-fluoro-4-iodoanilino)-4-[[methyl-[2-(methylamino)ethyl]sulfamoyl]amino]benzene
CID 11591614
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-N-hydroxyazetidine-3-carboxamide
CID 87589073
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 25027256
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 53492157
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492223
2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
CID 70828478
2-(azetidin-3-ylamino)-1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]propan-1-one
CID 175047798
4-bromo-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492429

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide (CID 53492153) is N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide is CN(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)S(=O)(=O)C1CC1.
What is the InChIKey of N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide?
The InChIKey is XSPQMZQPXNTOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3IN2O2S/c1-22(25(23,24)10-3-4-10)14-7-5-11(17)15(19)16(14)21-13-6-2-9(20)8-12(13)18/h2,5-8,10,21H,3-4H2,1H3.
What are the key properties of N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide?
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide has a molecular weight of 482.27 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 53492153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).