5-acetyl-3-fluorothiophene-2-sulfonamide

C6H6FNO3S2 — CID 146571286

IUPAC5-acetyl-3-fluorothiophene-2-sulfonamide
SMILESCC(=O)c1cc(F)c(S(N)(=O)=O)s1
InChIInChI=1S/C6H6FNO3S2/c1-3(9)5-2-4(7)6(12-5)13(8,10)11/h2H,1H3,(H2,8,10,11)
InChIKeyYZIYAFVTBOKCCL-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.74
Rot. Bonds2

About 5-acetyl-3-fluorothiophene-2-sulfonamide

5-acetyl-3-fluorothiophene-2-sulfonamide (PubChem CID 146571286) has the molecular formula C6H6FNO3S2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 5-acetyl-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-3-fluorothiophene-2-sulfonamide
PubChem CID146571286
Molecular FormulaC6H6FNO3S2
Molecular Weight223.25 g/mol
Exact Mass222.98
IUPAC Name5-acetyl-3-fluorothiophene-2-sulfonamide
SMILESCC(=O)c1cc(F)c(S(N)(=O)=O)s1
InChIInChI=1S/C6H6FNO3S2/c1-3(9)5-2-4(7)6(12-5)13(8,10)11/h2H,1H3,(H2,8,10,11)
InChIKeyYZIYAFVTBOKCCL-UHFFFAOYSA-N
XLogP0.74
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-fluorothiophene-2-sulfonamide?
The IUPAC name of 5-acetyl-3-fluorothiophene-2-sulfonamide (CID 146571286) is 5-acetyl-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for 5-acetyl-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for 5-acetyl-3-fluorothiophene-2-sulfonamide is CC(=O)c1cc(F)c(S(N)(=O)=O)s1.
What is the InChIKey of 5-acetyl-3-fluorothiophene-2-sulfonamide?
The InChIKey is YZIYAFVTBOKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3S2/c1-3(9)5-2-4(7)6(12-5)13(8,10)11/h2H,1H3,(H2,8,10,11).
What are the key properties of 5-acetyl-3-fluorothiophene-2-sulfonamide?
5-acetyl-3-fluorothiophene-2-sulfonamide has a molecular weight of 223.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 146571286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).