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

C15H13FIN3O3S2 — CID 25205106

IUPAC2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCO)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C15H13FIN3O3S2/c16-11-8-9(17)3-4-12(11)20-15-13(25(22,23)19-6-7-21)10-2-1-5-18-14(10)24-15/h1-5,8,19-21H,6-7H2
InChIKeyUKOSTYRKMBMZPX-UHFFFAOYSA-N
MW493.32 g/mol
LogP3.05
Rot. Bonds6

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

2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide (PubChem CID 25205106) has the molecular formula C15H13FIN3O3S2 and a molecular weight of 493.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide
PubChem CID25205106
Molecular FormulaC15H13FIN3O3S2
Molecular Weight493.32 g/mol
Exact Mass492.94
IUPAC Name2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCO)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C15H13FIN3O3S2/c16-11-8-9(17)3-4-12(11)20-15-13(25(22,23)19-6-7-21)10-2-1-5-18-14(10)24-15/h1-5,8,19-21H,6-7H2
InChIKeyUKOSTYRKMBMZPX-UHFFFAOYSA-N
XLogP3.05
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.32
LogP ≤ 53.05
H-Bond Donors ≤ 53
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-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide (CID 25205106) is 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide is O=S(=O)(NCCO)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide?
The InChIKey is UKOSTYRKMBMZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FIN3O3S2/c16-11-8-9(17)3-4-12(11)20-15-13(25(22,23)19-6-7-21)10-2-1-5-18-14(10)24-15/h1-5,8,19-21H,6-7H2.
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide?
2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide has a molecular weight of 493.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 25205106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).