6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride

C7H3ClFNO2S2 — CID 164908394

IUPAC6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1csc2nc(Cl)ccc12
InChIInChI=1S/C7H3ClFNO2S2/c8-6-2-1-4-5(14(9,11)12)3-13-7(4)10-6/h1-3H
InChIKeyKNXWKOBWAFWQIE-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.61
Rot. Bonds1

About 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride

6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride (PubChem CID 164908394) has the molecular formula C7H3ClFNO2S2 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride
PubChem CID164908394
Molecular FormulaC7H3ClFNO2S2
Molecular Weight251.69 g/mol
Exact Mass250.93
IUPAC Name6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1csc2nc(Cl)ccc12
InChIInChI=1S/C7H3ClFNO2S2/c8-6-2-1-4-5(14(9,11)12)3-13-7(4)10-6/h1-3H
InChIKeyKNXWKOBWAFWQIE-UHFFFAOYSA-N
XLogP2.61
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride 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 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride?
The IUPAC name of 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride (CID 164908394) is 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride.
What is the SMILES notation for 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride?
The canonical SMILES for 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride is O=S(=O)(F)c1csc2nc(Cl)ccc12.
What is the InChIKey of 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride?
The InChIKey is KNXWKOBWAFWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNO2S2/c8-6-2-1-4-5(14(9,11)12)3-13-7(4)10-6/h1-3H.
What are the key properties of 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride?
6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride has a molecular weight of 251.69 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorothieno[2,3-b]pyridine-3-sulfonyl fluoride is sourced from PubChem (CID 164908394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).