4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride

C9H6ClFO2S2 — CID 71755845

IUPAC4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2cccc(F)c12
InChIInChI=1S/C9H6ClFO2S2/c1-5-8-6(11)3-2-4-7(8)14-9(5)15(10,12)13/h2-4H,1H3
InChIKeyPFSFVTHIMQSVTE-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.28
Rot. Bonds1

About 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride

4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride (PubChem CID 71755845) has the molecular formula C9H6ClFO2S2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
PubChem CID71755845
Molecular FormulaC9H6ClFO2S2
Molecular Weight264.73 g/mol
Exact Mass263.95
IUPAC Name4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2cccc(F)c12
InChIInChI=1S/C9H6ClFO2S2/c1-5-8-6(11)3-2-4-7(8)14-9(5)15(10,12)13/h2-4H,1H3
InChIKeyPFSFVTHIMQSVTE-UHFFFAOYSA-N
XLogP3.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The IUPAC name of 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride (CID 71755845) is 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The canonical SMILES for 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The InChIKey is PFSFVTHIMQSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO2S2/c1-5-8-6(11)3-2-4-7(8)14-9(5)15(10,12)13/h2-4H,1H3.
What are the key properties of 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride is sourced from PubChem (CID 71755845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).