2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide

C22H20ClFIN3O4S — CID 70828376

IUPAC2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
SMILESCOc1cc(=O)n(C)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFIN3O4S/c1-28-20(29)11-18(32-2)21(22(28)26-17-8-7-14(25)9-16(17)24)27-33(30,31)19-10-15(19)12-3-5-13(23)6-4-12/h3-9,11,15,19,26-27H,10H2,1-2H3
InChIKeyOIFPSSKVDGKIPJ-UHFFFAOYSA-N
MW603.84 g/mol
LogP4.83
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide

2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide (PubChem CID 70828376) has the molecular formula C22H20ClFIN3O4S and a molecular weight of 603.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
PubChem CID70828376
Molecular FormulaC22H20ClFIN3O4S
Molecular Weight603.84 g/mol
Exact Mass602.99
IUPAC Name2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
SMILESCOc1cc(=O)n(C)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFIN3O4S/c1-28-20(29)11-18(32-2)21(22(28)26-17-8-7-14(25)9-16(17)24)27-33(30,31)19-10-15(19)12-3-5-13(23)6-4-12/h3-9,11,15,19,26-27H,10H2,1-2H3
InChIKeyOIFPSSKVDGKIPJ-UHFFFAOYSA-N
XLogP4.83
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.84
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide (CID 70828376) is 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide is COc1cc(=O)n(C)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide?
The InChIKey is OIFPSSKVDGKIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFIN3O4S/c1-28-20(29)11-18(32-2)21(22(28)26-17-8-7-14(25)9-16(17)24)27-33(30,31)19-10-15(19)12-3-5-13(23)6-4-12/h3-9,11,15,19,26-27H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide?
2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide has a molecular weight of 603.84 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 70828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).