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

C17H21FIN3O3S — CID 70828436

IUPACN-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H21FIN3O3S/c1-4-5-8-26(24,25)21-15-9-11(2)17(23)22(3)16(15)20-14-7-6-12(19)10-13(14)18/h6-7,9-10,20-21H,4-5,8H2,1-3H3
InChIKeyCLAXITHJODYCHK-UHFFFAOYSA-N
MW493.34 g/mol
LogP3.72
Rot. Bonds7

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

N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide (PubChem CID 70828436) has the molecular formula C17H21FIN3O3S and a molecular weight of 493.34 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide
PubChem CID70828436
Molecular FormulaC17H21FIN3O3S
Molecular Weight493.34 g/mol
Exact Mass493.03
IUPAC NameN-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H21FIN3O3S/c1-4-5-8-26(24,25)21-15-9-11(2)17(23)22(3)16(15)20-14-7-6-12(19)10-13(14)18/h6-7,9-10,20-21H,4-5,8H2,1-3H3
InChIKeyCLAXITHJODYCHK-UHFFFAOYSA-N
XLogP3.72
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
1-[(2S)-2,3-dihydroxypropyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 46916360
N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide
CID 90047945
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 68794811
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 68796063
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
5-[(cyclopropyl-methylidene-oxo-λ6-sulfanyl)amino]-6-(2,4-difluoroanilino)-1,3-dimethylpyridin-2-one
CID 163988544
1-(2,2-difluoro-3-hydroxypropyl)-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 162601475
2-(2,4-difluorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 163948649
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
1-butyl-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91522702
N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide
CID 68794347

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide (CID 70828436) is N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F.
What is the InChIKey of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is CLAXITHJODYCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FIN3O3S/c1-4-5-8-26(24,25)21-15-9-11(2)17(23)22(3)16(15)20-14-7-6-12(19)10-13(14)18/h6-7,9-10,20-21H,4-5,8H2,1-3H3.
What are the key properties of N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide?
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 493.34 g/mol, XLogP of 3.72, 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)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 70828436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).