3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

C12H10O4S3 — CID 2822215

IUPAC3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CC(S(=O)(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C12H10O4S3/c13-18(14)8-11(9-4-1-2-5-10(9)18)19(15,16)12-6-3-7-17-12/h1-7,11H,8H2
InChIKeyRFGYBYUUQVFYAX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.05
Rot. Bonds2

About 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 2822215) has the molecular formula C12H10O4S3 and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID2822215
Molecular FormulaC12H10O4S3
Molecular Weight314.41 g/mol
Exact Mass313.97
IUPAC Name3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CC(S(=O)(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C12H10O4S3/c13-18(14)8-11(9-4-1-2-5-10(9)18)19(15,16)12-6-3-7-17-12/h1-7,11H,8H2
InChIKeyRFGYBYUUQVFYAX-UHFFFAOYSA-N
XLogP2.05
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzothiophene-2-Sulfonamide
CID 10680096
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
CID 284423
(E)-2-(4-(methylsulfonyl)styryl)thiophene
CID 50908698
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
(+)-2,3-Dihydro-2-methylbenzo(B)thiophene-1,1-dioxide
CID 4252604
4-[(4-Methylphenyl)sulfonyl]-2-thiophenesulfonamide
CID 14642289
1-Benzothiophene-3-sulfonamide
CID 13178324
5-Phenylthiophene-2-sulphonyl chloride
CID 13425725
Thiophene, 2-(4-methylbenzylsulfonyl)-
CID 569315
1,3-Dithiolane, 2-phenyl-2-(2-thienyl)-
CID 55025
3-Methyl-1-benzothiophene-2-sulfonyl chloride
CID 2736815

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 2822215) is 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is O=S1(=O)CC(S(=O)(=O)c2cccs2)c2ccccc21.
What is the InChIKey of 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is RFGYBYUUQVFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S3/c13-18(14)8-11(9-4-1-2-5-10(9)18)19(15,16)12-6-3-7-17-12/h1-7,11H,8H2.
What are the key properties of 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 314.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfonyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 2822215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).