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

C9H7FN2O2S2 — CID 25048405

IUPAC3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C9H7FN2O2S2/c10-7-2-1-3-8(6-7)16(13,14)12-9-11-4-5-15-9/h1-6H,(H,11,12)
InChIKeyXWPQLPSSAIPOSH-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.08
Rot. Bonds3

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

3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 25048405) has the molecular formula C9H7FN2O2S2 and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID25048405
Molecular FormulaC9H7FN2O2S2
Molecular Weight258.30 g/mol
Exact Mass257.99
IUPAC Name3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C9H7FN2O2S2/c10-7-2-1-3-8(6-7)16(13,14)12-9-11-4-5-15-9/h1-6H,(H,11,12)
InChIKeyXWPQLPSSAIPOSH-UHFFFAOYSA-N
XLogP2.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 25048405) is 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XWPQLPSSAIPOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S2/c10-7-2-1-3-8(6-7)16(13,14)12-9-11-4-5-15-9/h1-6H,(H,11,12).
What are the key properties of 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 258.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).