2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide

C9H7FN2O2S2 — CID 68657737

IUPAC2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ncc(F)s1
InChIInChI=1S/C9H7FN2O2S2/c10-8-5-12-9(15-8)6-3-1-2-4-7(6)16(11,13)14/h1-5H,(H2,11,13,14)
InChIKeySTSKUSHXSVXMIG-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.60
Rot. Bonds2

About 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide

2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 68657737) has the molecular formula C9H7FN2O2S2 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID68657737
Molecular FormulaC9H7FN2O2S2
Molecular Weight258.30 g/mol
Exact Mass257.99
IUPAC Name2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ncc(F)s1
InChIInChI=1S/C9H7FN2O2S2/c10-8-5-12-9(15-8)6-3-1-2-4-7(6)16(11,13)14/h1-5H,(H2,11,13,14)
InChIKeySTSKUSHXSVXMIG-UHFFFAOYSA-N
XLogP1.60
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide (CID 68657737) is 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ncc(F)s1.
What is the InChIKey of 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is STSKUSHXSVXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S2/c10-8-5-12-9(15-8)6-3-1-2-4-7(6)16(11,13)14/h1-5H,(H2,11,13,14).
What are the key properties of 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide?
2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 258.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 68657737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).