6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

C9H6Cl2O2S2 — CID 58713179

IUPAC6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2O2S2/c1-5-7-3-2-6(10)4-8(7)14-9(5)15(11,12)13/h2-4H,1H3
InChIKeyDYRASNHESMAQAI-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.79
Rot. Bonds1

About 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride (PubChem CID 58713179) has the molecular formula C9H6Cl2O2S2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride
PubChem CID58713179
Molecular FormulaC9H6Cl2O2S2
Molecular Weight281.19 g/mol
Exact Mass279.92
IUPAC Name6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2O2S2/c1-5-7-3-2-6(10)4-8(7)14-9(5)15(11,12)13/h2-4H,1H3
InChIKeyDYRASNHESMAQAI-UHFFFAOYSA-N
XLogP3.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The IUPAC name of 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride (CID 58713179) is 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride.
What is the SMILES notation for 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The canonical SMILES for 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)sc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
The InChIKey is DYRASNHESMAQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O2S2/c1-5-7-3-2-6(10)4-8(7)14-9(5)15(11,12)13/h2-4H,1H3.
What are the key properties of 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride?
6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride has a molecular weight of 281.19 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride is sourced from PubChem (CID 58713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).