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

C9H6ClFN2O2S2 — CID 110759399

IUPAC5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(Cl)ccc1F
InChIInChI=1S/C9H6ClFN2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
InChIKeyMCAIMHYZUJTHNP-UHFFFAOYSA-N
MW292.74 g/mol
LogP2.74
Rot. Bonds3

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

5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110759399) has the molecular formula C9H6ClFN2O2S2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110759399
Molecular FormulaC9H6ClFN2O2S2
Molecular Weight292.74 g/mol
Exact Mass291.95
IUPAC Name5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(Cl)ccc1F
InChIInChI=1S/C9H6ClFN2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
InChIKeyMCAIMHYZUJTHNP-UHFFFAOYSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 110759399) is 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MCAIMHYZUJTHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13).
What are the key properties of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 292.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110759399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).