2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide

C19H21FIN3O2S2 — CID 25205105

IUPAC2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C19H21FIN3O2S2/c1-11(2)24(12(3)4)28(25,26)17-14-6-5-9-22-18(14)27-19(17)23-16-8-7-13(21)10-15(16)20/h5-12,23H,1-4H3
InChIKeyJGWYPABZNPBOHC-UHFFFAOYSA-N
MW533.43 g/mol
LogP5.59
Rot. Bonds6

About 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide

2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide (PubChem CID 25205105) has the molecular formula C19H21FIN3O2S2 and a molecular weight of 533.43 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide
PubChem CID25205105
Molecular FormulaC19H21FIN3O2S2
Molecular Weight533.43 g/mol
Exact Mass533.01
IUPAC Name2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C19H21FIN3O2S2/c1-11(2)24(12(3)4)28(25,26)17-14-6-5-9-22-18(14)27-19(17)23-16-8-7-13(21)10-15(16)20/h5-12,23H,1-4H3
InChIKeyJGWYPABZNPBOHC-UHFFFAOYSA-N
XLogP5.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.43
LogP ≤ 55.59
H-Bond Donors ≤ 51
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 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide (CID 25205105) is 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide is CC(C)N(C(C)C)S(=O)(=O)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide?
The InChIKey is JGWYPABZNPBOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FIN3O2S2/c1-11(2)24(12(3)4)28(25,26)17-14-6-5-9-22-18(14)27-19(17)23-16-8-7-13(21)10-15(16)20/h5-12,23H,1-4H3.
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide?
2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide has a molecular weight of 533.43 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N,N-di(propan-2-yl)thieno[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 25205105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).