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

C40H51F2IN4O7S2 — CID 160983501

About 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

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 (PubChem CID 160983501) has the molecular formula C40H51F2IN4O7S2 and a molecular weight of 928.90 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160983501
• Molecular Formula: C40H51F2IN4O7S2
• Molecular Weight: 928.90 g/mol
• Exact Mass: 928.22
• IUPAC Name: 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
• SMILES: C.CCc1cc(NS(=O)(=O)C2(CCO)CC2)c(Cc2ccc(C)cc2F)n(C)c1=O.CCc1cc(NS(=O)(=O)C2CC2)c(Cc2ccc(I)cc2F)n(C)c1=O
• InChI: InChI=1S/C21H27FN2O4S.C18H20FIN2O3S.CH4/c1-4-15-12-18(23-29(27,28)21(7-8-21)9-10-25)19(24(3)20(15)26)13-16-6-5-14(2)11-17(16)22;1-3-11-8-16(21-26(24,25)14-6-7-14)17(22(2)18(11)23)9-12-4-5-13(20)10-15(12)19;/h5-6,11-12,23,25H,4,7-10,13H2,1-3H3;4-5,8,10,14,21H,3,6-7,9H2,1-2H3;1H4
• InChIKey: SZUXJAWCOIRNQA-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 156.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.90
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CCc1cc(NS(=O)(=O)C2(CCO)CC2)c(Cc2ccc(C)cc2F)n(C)c1=O.CCc1cc(NS(=O)(=O)C2CC2)c(Cc2ccc(I)cc2F)n(C)c1=O.

What is the InChIKey of 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?

The InChIKey is SZUXJAWCOIRNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S.C18H20FIN2O3S.CH4/c1-4-15-12-18(23-29(27,28)21(7-8-21)9-10-25)19(24(3)20(15)26)13-16-6-5-14(2)11-17(16)22;1-3-11-8-16(21-26(24,25)14-6-7-14)17(22(2)18(11)23)9-12-4-5-13(20)10-15(12)19;/h5-6,11-12,23,25H,4,7-10,13H2,1-3H3;4-5,8,10,14,21H,3,6-7,9H2,1-2H3;1H4.

What are the key properties of 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?

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 has a molecular weight of 928.90 g/mol, XLogP of 6.47, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160983501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).