4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol

C10H11FINO3S — CID 114259861

IUPAC4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Nc2cccc(F)c2I)C1
InChIInChI=1S/C10H11FINO3S/c11-6-2-1-3-7(10(6)12)13-8-4-17(15,16)5-9(8)14/h1-3,8-9,13-14H,4-5H2
InChIKeyCWPQOIUXUCZPIZ-UHFFFAOYSA-N
MW371.17 g/mol
LogP1.00
Rot. Bonds2

About 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol

4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol (PubChem CID 114259861) has the molecular formula C10H11FINO3S and a molecular weight of 371.17 g/mol. Its IUPAC name is 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
PubChem CID114259861
Molecular FormulaC10H11FINO3S
Molecular Weight371.17 g/mol
Exact Mass370.95
IUPAC Name4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Nc2cccc(F)c2I)C1
InChIInChI=1S/C10H11FINO3S/c11-6-2-1-3-7(10(6)12)13-8-4-17(15,16)5-9(8)14/h1-3,8-9,13-14H,4-5H2
InChIKeyCWPQOIUXUCZPIZ-UHFFFAOYSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-hydroxyanilino)-1,1-dioxothiolan-3-ol
CID 3635149
4-(2-bromoanilino)-1,1-dioxothiolan-3-ol
CID 21238967
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
4-(4-bromo-2-fluoroanilino)-1,1-dioxothiolan-3-ol
CID 60885079
(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol
CID 129365592
(3S,4R)-4-(3-hydroxyanilino)-1,1-dioxothiolan-3-ol
CID 7058971
4-(2,6-dichloro-4-fluoroanilino)-1,1-dioxothiolan-3-ol
CID 83079482
N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide
CID 6987651
(3R,4R)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890027
(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890029
(3R,4R)-4-(2-ethyl-6-methylanilino)-1,1-dioxothiolan-3-ol
CID 1413789
4-(5-bromo-2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 62913766

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol (CID 114259861) is 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(Nc2cccc(F)c2I)C1.
What is the InChIKey of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
The InChIKey is CWPQOIUXUCZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FINO3S/c11-6-2-1-3-7(10(6)12)13-8-4-17(15,16)5-9(8)14/h1-3,8-9,13-14H,4-5H2.
What are the key properties of 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol?
4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol has a molecular weight of 371.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-iodoanilino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 114259861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).