N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

C15H15FIN3O3S — CID 24759348

IUPACN-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C15H15FIN3O3S/c1-20-8-14(19-24(22,23)10-3-4-10)13(7-15(20)21)18-12-5-2-9(17)6-11(12)16/h2,5-8,10,18-19H,3-4H2,1H3
InChIKeyVFMZAENHYDEXQU-UHFFFAOYSA-N
MW463.27 g/mol
LogP2.78
Rot. Bonds5

About N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 24759348) has the molecular formula C15H15FIN3O3S and a molecular weight of 463.27 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
PubChem CID24759348
Molecular FormulaC15H15FIN3O3S
Molecular Weight463.27 g/mol
Exact Mass462.99
IUPAC NameN-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C15H15FIN3O3S/c1-20-8-14(19-24(22,23)10-3-4-10)13(7-15(20)21)18-12-5-2-9(17)6-11(12)16/h2,5-8,10,18-19H,3-4H2,1H3
InChIKeyVFMZAENHYDEXQU-UHFFFAOYSA-N
XLogP2.78
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (CID 24759348) is N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is Cn1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(I)cc2F)cc1=O.
What is the InChIKey of N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is VFMZAENHYDEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN3O3S/c1-20-8-14(19-24(22,23)10-3-4-10)13(7-15(20)21)18-12-5-2-9(17)6-11(12)16/h2,5-8,10,18-19H,3-4H2,1H3.
What are the key properties of N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 463.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 24759348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).