1-benzothiophene-7-sulfonyl chloride

C8H5ClO2S2 — CID 15158616

IUPAC1-benzothiophene-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2ccsc12
InChIInChI=1S/C8H5ClO2S2/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKeyJOJNZADZIIGUJY-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.83
Rot. Bonds1

About 1-benzothiophene-7-sulfonyl chloride

1-benzothiophene-7-sulfonyl chloride (PubChem CID 15158616) has the molecular formula C8H5ClO2S2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-benzothiophene-7-sulfonyl chloride.

Molecular Properties

Compound Name1-benzothiophene-7-sulfonyl chloride
PubChem CID15158616
Molecular FormulaC8H5ClO2S2
Molecular Weight232.71 g/mol
Exact Mass231.94
IUPAC Name1-benzothiophene-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2ccsc12
InChIInChI=1S/C8H5ClO2S2/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKeyJOJNZADZIIGUJY-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

naphthalene-2,3-disulfonyl chloride
CID 134894919
ethane;7-methyl-1-benzothiophene
CID 143012583
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
CID 105021997
7-(bromomethyl)-1-benzothiophene
CID 10751761
1-benzothiophen-7-yl-(2,6-dichlorophenyl)methanone
CID 115791052
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
7-chloro-1-benzothiophene-3-sulfonyl chloride
CID 87349583
3-methyl-1-benzothiophene-4-sulfonyl chloride
CID 83825267
2-methoxythiophene-3-sulfonyl chloride
CID 18769960
2-(1-benzothiophen-7-yl)-6-chloropyridine
CID 81148344

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-7-sulfonyl chloride?
The IUPAC name of 1-benzothiophene-7-sulfonyl chloride (CID 15158616) is 1-benzothiophene-7-sulfonyl chloride.
What is the SMILES notation for 1-benzothiophene-7-sulfonyl chloride?
The canonical SMILES for 1-benzothiophene-7-sulfonyl chloride is O=S(=O)(Cl)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophene-7-sulfonyl chloride?
The InChIKey is JOJNZADZIIGUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO2S2/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H.
What are the key properties of 1-benzothiophene-7-sulfonyl chloride?
1-benzothiophene-7-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-7-sulfonyl chloride is sourced from PubChem (CID 15158616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).