5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide

C9H8FNO2S2 — CID 22662723

IUPAC5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc2ccc(F)cc12
InChIInChI=1S/C9H8FNO2S2/c1-11-15(12,13)9-5-14-8-3-2-6(10)4-7(8)9/h2-5,11H,1H3
InChIKeySJEAMLTXKMAZRD-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.95
Rot. Bonds2

About 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide

5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide (PubChem CID 22662723) has the molecular formula C9H8FNO2S2 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide
PubChem CID22662723
Molecular FormulaC9H8FNO2S2
Molecular Weight245.30 g/mol
Exact Mass245.00
IUPAC Name5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc2ccc(F)cc12
InChIInChI=1S/C9H8FNO2S2/c1-11-15(12,13)9-5-14-8-3-2-6(10)4-7(8)9/h2-5,11H,1H3
InChIKeySJEAMLTXKMAZRD-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide (CID 22662723) is 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide is CNS(=O)(=O)c1csc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide?
The InChIKey is SJEAMLTXKMAZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2S2/c1-11-15(12,13)9-5-14-8-3-2-6(10)4-7(8)9/h2-5,11H,1H3.
What are the key properties of 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide?
5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 22662723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).