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

C13H9FN2O2S3 — CID 8603534

IUPAC2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccccc1F
InChIInChI=1S/C13H9FN2O2S3/c14-9-4-1-2-6-12(9)21(17,18)16-13-15-10(8-20-13)11-5-3-7-19-11/h1-8H,(H,15,16)
InChIKeyZUIGAPMDPOEFMS-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.81
Rot. Bonds4

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

2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 8603534) has the molecular formula C13H9FN2O2S3 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID8603534
Molecular FormulaC13H9FN2O2S3
Molecular Weight340.43 g/mol
Exact Mass339.98
IUPAC Name2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccccc1F
InChIInChI=1S/C13H9FN2O2S3/c14-9-4-1-2-6-12(9)21(17,18)16-13-15-10(8-20-13)11-5-3-7-19-11/h1-8H,(H,15,16)
InChIKeyZUIGAPMDPOEFMS-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 8603534) is 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZUIGAPMDPOEFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S3/c14-9-4-1-2-6-12(9)21(17,18)16-13-15-10(8-20-13)11-5-3-7-19-11/h1-8H,(H,15,16).
What are the key properties of 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
2-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 2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 8603534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).