N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide

C19H23FIN3O3S — CID 90047945

IUPACN-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)C2CCC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChIInChI=1S/C19H23FIN3O3S/c1-3-5-12-10-17(23-28(26,27)14-6-4-7-14)18(24(2)19(12)25)22-16-9-8-13(21)11-15(16)20/h8-11,14,22-23H,3-7H2,1-2H3
InChIKeyIEQKZJXATIXNKL-UHFFFAOYSA-N
MW519.38 g/mol
LogP4.12
Rot. Bonds7

About N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide

N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide (PubChem CID 90047945) has the molecular formula C19H23FIN3O3S and a molecular weight of 519.38 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide
PubChem CID90047945
Molecular FormulaC19H23FIN3O3S
Molecular Weight519.38 g/mol
Exact Mass519.05
IUPAC NameN-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide
SMILESCCCc1cc(NS(=O)(=O)C2CCC2)c(Nc2ccc(I)cc2F)n(C)c1=O
InChIInChI=1S/C19H23FIN3O3S/c1-3-5-12-10-17(23-28(26,27)14-6-4-7-14)18(24(2)19(12)25)22-16-9-8-13(21)11-15(16)20/h8-11,14,22-23H,3-7H2,1-2H3
InChIKeyIEQKZJXATIXNKL-UHFFFAOYSA-N
XLogP4.12
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide with MolForge

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Related Compounds

N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide
CID 70828436
N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 91455769
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 68794811
N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)cyclopropane-1-sulfonamide
CID 68796586
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 68796063
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
1-[(2S)-2,3-dihydroxypropyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 46916360
N-[5-ethyl-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide;N-[5-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-1-methyl-6-oxo-3-pyridinyl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide;methane
CID 160983501
N-[3-[6-ethyl-3-fluoro-4-(2-fluoro-4-iodoanilino)-1-methyl-2,5-dioxopyrido[2,3-d]pyridazin-8-yl]phenyl]cyclopropanesulfonamide
CID 86581590
N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(3-fluorophenyl)cyclopropane-1-sulfonamide
CID 68794341

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide?
The IUPAC name of N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide (CID 90047945) is N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide?
The canonical SMILES for N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide is CCCc1cc(NS(=O)(=O)C2CCC2)c(Nc2ccc(I)cc2F)n(C)c1=O.
What is the InChIKey of N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide?
The InChIKey is IEQKZJXATIXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FIN3O3S/c1-3-5-12-10-17(23-28(26,27)14-6-4-7-14)18(24(2)19(12)25)22-16-9-8-13(21)11-15(16)20/h8-11,14,22-23H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide?
N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide has a molecular weight of 519.38 g/mol, XLogP of 4.12, 7 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-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide is sourced from PubChem (CID 90047945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).