1-benzothiophene-2-sulfonyl chloride

C8H5ClO2S2 — CID 2776333

IUPAC1-benzothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2ccccc2s1
InChIInChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKeyFKIIVBOPAHICHQ-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.83
Rot. Bonds1

About 1-benzothiophene-2-sulfonyl chloride

1-benzothiophene-2-sulfonyl chloride (PubChem CID 2776333) has the molecular formula C8H5ClO2S2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-benzothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name1-benzothiophene-2-sulfonyl chloride
PubChem CID2776333
Molecular FormulaC8H5ClO2S2
Molecular Weight232.71 g/mol
Exact Mass231.94
IUPAC Name1-benzothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2ccccc2s1
InChIInChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKeyFKIIVBOPAHICHQ-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

methyl 1-benzothiophene-2-sulfonate
CID 89056297
2-ethenylsulfanylsulfonyl-1-benzothiophene
CID 126641296
7-chloro-1-benzothiophene-2-sulfonyl chloride
CID 15158642
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
CID 11505180
N-(dimethylphosphorylmethyl)-N-methyl-1-benzothiophene-2-sulfonamide
CID 20776994
2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine
CID 11793247
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
CID 141104208
2-(ethylsulfonylmethyl)-1-benzothiophene
CID 117172797
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide
CID 11577357
1-benzothiophen-2-yl benzenesulfonate
CID 87961440
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]-1-benzothiophene-2-sulfonamide
CID 11407129

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-2-sulfonyl chloride?
The IUPAC name of 1-benzothiophene-2-sulfonyl chloride (CID 2776333) is 1-benzothiophene-2-sulfonyl chloride.
What is the SMILES notation for 1-benzothiophene-2-sulfonyl chloride?
The canonical SMILES for 1-benzothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophene-2-sulfonyl chloride?
The InChIKey is FKIIVBOPAHICHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H.
What are the key properties of 1-benzothiophene-2-sulfonyl chloride?
1-benzothiophene-2-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-2-sulfonyl chloride is sourced from PubChem (CID 2776333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).