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

C9H7FN2O2S2 — CID 676567

IUPAC4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,(H,11,12)
InChIKeyZYDHXFFNDKCKKS-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.08
Rot. Bonds3

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

4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 676567) has the molecular formula C9H7FN2O2S2 and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID676567
Molecular FormulaC9H7FN2O2S2
Molecular Weight258.30 g/mol
Exact Mass257.99
IUPAC Name4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C9H7FN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,(H,11,12)
InChIKeyZYDHXFFNDKCKKS-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 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 676567) is 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZYDHXFFNDKCKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,(H,11,12).
What are the key properties of 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-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 4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 676567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).