1-benzothiophene-3-sulfonyl chloride

C8H5ClO2S2 — CID 2776340

IUPAC1-benzothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc2ccccc12
InChIInChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
InChIKeyWYYRQMZTUXFUTC-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.83
Rot. Bonds1

About 1-benzothiophene-3-sulfonyl chloride

1-benzothiophene-3-sulfonyl chloride (PubChem CID 2776340) has the molecular formula C8H5ClO2S2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-benzothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name1-benzothiophene-3-sulfonyl chloride
PubChem CID2776340
Molecular FormulaC8H5ClO2S2
Molecular Weight232.71 g/mol
Exact Mass231.94
IUPAC Name1-benzothiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc2ccccc12
InChIInChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
InChIKeyWYYRQMZTUXFUTC-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(B)Thiophene-2-Boronic Acid
CID 2359
Benzo(B)Thiophene
CID 7221
(1-Benzothiophen-3-yl)boronic acid
CID 2776344
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
1-Benzothiophene-2-Sulfonamide
CID 10680096
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
CID 284423
7-Methyl-1-benzothiophene
CID 6428541
(E)-2-(4-(methylsulfonyl)styryl)thiophene
CID 50908698
4-(1-Benzothiophen-2-yl)benzenesulfonamide
CID 127029023
(+)-2,3-Dihydro-2-methylbenzo(B)thiophene-1,1-dioxide
CID 4252604

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-3-sulfonyl chloride?
The IUPAC name of 1-benzothiophene-3-sulfonyl chloride (CID 2776340) is 1-benzothiophene-3-sulfonyl chloride.
What is the SMILES notation for 1-benzothiophene-3-sulfonyl chloride?
The canonical SMILES for 1-benzothiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophene-3-sulfonyl chloride?
The InChIKey is WYYRQMZTUXFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 1-benzothiophene-3-sulfonyl chloride?
1-benzothiophene-3-sulfonyl chloride has a molecular weight of 232.71 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene-3-sulfonyl chloride is sourced from PubChem (CID 2776340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).