N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine

C17H15FIN3O2S2 — CID 25141101

IUPACN-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine
SMILESO=S(=O)(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCCC1
InChIInChI=1S/C17H15FIN3O2S2/c18-13-10-11(19)5-6-14(13)21-17-15(12-4-3-7-20-16(12)25-17)26(23,24)22-8-1-2-9-22/h3-7,10,21H,1-2,8-9H2
InChIKeyNGOABHUOTGKOLG-UHFFFAOYSA-N
MW503.36 g/mol
LogP4.57
Rot. Bonds4

About N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine

N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine (PubChem CID 25141101) has the molecular formula C17H15FIN3O2S2 and a molecular weight of 503.36 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine
PubChem CID25141101
Molecular FormulaC17H15FIN3O2S2
Molecular Weight503.36 g/mol
Exact Mass502.96
IUPAC NameN-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine
SMILESO=S(=O)(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCCC1
InChIInChI=1S/C17H15FIN3O2S2/c18-13-10-11(19)5-6-14(13)21-17-15(12-4-3-7-20-16(12)25-17)26(23,24)22-8-1-2-9-22/h3-7,10,21H,1-2,8-9H2
InChIKeyNGOABHUOTGKOLG-UHFFFAOYSA-N
XLogP4.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine (CID 25141101) is N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine is O=S(=O)(c1c(Nc2ccc(I)cc2F)sc2ncccc12)N1CCCC1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine?
The InChIKey is NGOABHUOTGKOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O2S2/c18-13-10-11(19)5-6-14(13)21-17-15(12-4-3-7-20-16(12)25-17)26(23,24)22-8-1-2-9-22/h3-7,10,21H,1-2,8-9H2.
What are the key properties of N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine?
N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine has a molecular weight of 503.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-3-pyrrolidin-1-ylsulfonylthieno[2,3-b]pyridin-2-amine is sourced from PubChem (CID 25141101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).