6-acetyl-1-benzothiophene-3-sulfonyl chloride

C10H7ClO3S2 — CID 116646216

IUPAC6-acetyl-1-benzothiophene-3-sulfonyl chloride
SMILESCC(=O)c1ccc2c(S(=O)(=O)Cl)csc2c1
InChIInChI=1S/C10H7ClO3S2/c1-6(12)7-2-3-8-9(4-7)15-5-10(8)16(11,13)14/h2-5H,1H3
InChIKeyPLFBMCNWTMULCS-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.03
Rot. Bonds2

About 6-acetyl-1-benzothiophene-3-sulfonyl chloride

6-acetyl-1-benzothiophene-3-sulfonyl chloride (PubChem CID 116646216) has the molecular formula C10H7ClO3S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-acetyl-1-benzothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name6-acetyl-1-benzothiophene-3-sulfonyl chloride
PubChem CID116646216
Molecular FormulaC10H7ClO3S2
Molecular Weight274.75 g/mol
Exact Mass273.95
IUPAC Name6-acetyl-1-benzothiophene-3-sulfonyl chloride
SMILESCC(=O)c1ccc2c(S(=O)(=O)Cl)csc2c1
InChIInChI=1S/C10H7ClO3S2/c1-6(12)7-2-3-8-9(4-7)15-5-10(8)16(11,13)14/h2-5H,1H3
InChIKeyPLFBMCNWTMULCS-UHFFFAOYSA-N
XLogP3.03
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1-benzothiophene-3-sulfonyl chloride?
The IUPAC name of 6-acetyl-1-benzothiophene-3-sulfonyl chloride (CID 116646216) is 6-acetyl-1-benzothiophene-3-sulfonyl chloride.
What is the SMILES notation for 6-acetyl-1-benzothiophene-3-sulfonyl chloride?
The canonical SMILES for 6-acetyl-1-benzothiophene-3-sulfonyl chloride is CC(=O)c1ccc2c(S(=O)(=O)Cl)csc2c1.
What is the InChIKey of 6-acetyl-1-benzothiophene-3-sulfonyl chloride?
The InChIKey is PLFBMCNWTMULCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3S2/c1-6(12)7-2-3-8-9(4-7)15-5-10(8)16(11,13)14/h2-5H,1H3.
What are the key properties of 6-acetyl-1-benzothiophene-3-sulfonyl chloride?
6-acetyl-1-benzothiophene-3-sulfonyl chloride has a molecular weight of 274.75 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1-benzothiophene-3-sulfonyl chloride is sourced from PubChem (CID 116646216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).