4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C13H9FN2O2S3 — CID 4199706

IUPAC4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2S3/c14-9-3-5-10(6-4-9)21(17,18)16-13-15-11(8-20-13)12-2-1-7-19-12/h1-8H,(H,15,16)
InChIKeyVTWSRMYHCFWDKH-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.81
Rot. Bonds4

About 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 4199706) has the molecular formula C13H9FN2O2S3 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID4199706
Molecular FormulaC13H9FN2O2S3
Molecular Weight340.43 g/mol
Exact Mass339.98
IUPAC Name4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2S3/c14-9-3-5-10(6-4-9)21(17,18)16-13-15-11(8-20-13)12-2-1-7-19-12/h1-8H,(H,15,16)
InChIKeyVTWSRMYHCFWDKH-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

Analyze 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide 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 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 4199706) is 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VTWSRMYHCFWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S3/c14-9-3-5-10(6-4-9)21(17,18)16-13-15-11(8-20-13)12-2-1-7-19-12/h1-8H,(H,15,16).
What are the key properties of 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 4199706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).