6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene

C9H9ClO2S2 — CID 89134096

IUPAC6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene
SMILESCS(=O)(=O)C1Cc2ccc(Cl)cc2S1
InChIInChI=1S/C9H9ClO2S2/c1-14(11,12)9-4-6-2-3-7(10)5-8(6)13-9/h2-3,5,9H,4H2,1H3
InChIKeyNPMHLDHMPJQZCW-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.36
Rot. Bonds1

About 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene

6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene (PubChem CID 89134096) has the molecular formula C9H9ClO2S2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene
PubChem CID89134096
Molecular FormulaC9H9ClO2S2
Molecular Weight248.76 g/mol
Exact Mass247.97
IUPAC Name6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene
SMILESCS(=O)(=O)C1Cc2ccc(Cl)cc2S1
InChIInChI=1S/C9H9ClO2S2/c1-14(11,12)9-4-6-2-3-7(10)5-8(6)13-9/h2-3,5,9H,4H2,1H3
InChIKeyNPMHLDHMPJQZCW-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene (CID 89134096) is 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene is CS(=O)(=O)C1Cc2ccc(Cl)cc2S1.
What is the InChIKey of 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene?
The InChIKey is NPMHLDHMPJQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2S2/c1-14(11,12)9-4-6-2-3-7(10)5-8(6)13-9/h2-3,5,9H,4H2,1H3.
What are the key properties of 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene?
6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene has a molecular weight of 248.76 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfonyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 89134096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).