1-benzothiophen-5-ylmethanesulfonyl chloride

C9H7ClO2S2 — CID 11322580

IUPAC1-benzothiophen-5-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2sccc2c1
InChIInChI=1S/C9H7ClO2S2/c10-14(11,12)6-7-1-2-9-8(5-7)3-4-13-9/h1-5H,6H2
InChIKeyVBIGUAGJUJGFCX-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.97
Rot. Bonds2

About 1-benzothiophen-5-ylmethanesulfonyl chloride

1-benzothiophen-5-ylmethanesulfonyl chloride (PubChem CID 11322580) has the molecular formula C9H7ClO2S2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-benzothiophen-5-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name1-benzothiophen-5-ylmethanesulfonyl chloride
PubChem CID11322580
Molecular FormulaC9H7ClO2S2
Molecular Weight246.74 g/mol
Exact Mass245.96
IUPAC Name1-benzothiophen-5-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2sccc2c1
InChIInChI=1S/C9H7ClO2S2/c10-14(11,12)6-7-1-2-9-8(5-7)3-4-13-9/h1-5H,6H2
InChIKeyVBIGUAGJUJGFCX-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-5-ylmethanesulfonyl chloride?
The IUPAC name of 1-benzothiophen-5-ylmethanesulfonyl chloride (CID 11322580) is 1-benzothiophen-5-ylmethanesulfonyl chloride.
What is the SMILES notation for 1-benzothiophen-5-ylmethanesulfonyl chloride?
The canonical SMILES for 1-benzothiophen-5-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophen-5-ylmethanesulfonyl chloride?
The InChIKey is VBIGUAGJUJGFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S2/c10-14(11,12)6-7-1-2-9-8(5-7)3-4-13-9/h1-5H,6H2.
What are the key properties of 1-benzothiophen-5-ylmethanesulfonyl chloride?
1-benzothiophen-5-ylmethanesulfonyl chloride has a molecular weight of 246.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-ylmethanesulfonyl chloride is sourced from PubChem (CID 11322580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).