N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

C16H17FIN3O3S — CID 46916359

IUPACN-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCc1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChIInChI=1S/C16H17FIN3O3S/c1-9-7-14(20-25(23,24)11-4-5-11)15(21(2)16(9)22)19-13-6-3-10(18)8-12(13)17/h3,6-8,11,19-20H,4-5H2,1-2H3
InChIKeyXDYFXFISOWCPCH-UHFFFAOYSA-N
MW477.30 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide

N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 46916359) has the molecular formula C16H17FIN3O3S and a molecular weight of 477.30 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
PubChem CID46916359
Molecular FormulaC16H17FIN3O3S
Molecular Weight477.30 g/mol
Exact Mass477.00
IUPAC NameN-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
SMILESCc1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChIInChI=1S/C16H17FIN3O3S/c1-9-7-14(20-25(23,24)11-4-5-11)15(21(2)16(9)22)19-13-6-3-10(18)8-12(13)17/h3,6-8,11,19-20H,4-5H2,1-2H3
InChIKeyXDYFXFISOWCPCH-UHFFFAOYSA-N
XLogP3.09
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.30
LogP ≤ 53.09
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-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide (CID 46916359) is N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is Cc1cc(NS(=O)(=O)C2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O.
What is the InChIKey of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is XDYFXFISOWCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FIN3O3S/c1-9-7-14(20-25(23,24)11-4-5-11)15(21(2)16(9)22)19-13-6-3-10(18)8-12(13)17/h3,6-8,11,19-20H,4-5H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide?
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 477.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 46916359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).