5-chloro-1-benzofuran-2-sulfonic acid

C8H5ClO4S — CID 174798202

IUPAC5-chloro-1-benzofuran-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C8H5ClO4S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H,(H,10,11,12)
InChIKeyYBGZBZLSEMOLDT-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-1-benzofuran-2-sulfonic acid

5-chloro-1-benzofuran-2-sulfonic acid (PubChem CID 174798202) has the molecular formula C8H5ClO4S and a molecular weight of 232.64 g/mol. Its IUPAC name is 5-chloro-1-benzofuran-2-sulfonic acid.

Molecular Properties

Compound Name5-chloro-1-benzofuran-2-sulfonic acid
PubChem CID174798202
Molecular FormulaC8H5ClO4S
Molecular Weight232.64 g/mol
Exact Mass231.96
IUPAC Name5-chloro-1-benzofuran-2-sulfonic acid
SMILESO=S(=O)(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C8H5ClO4S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H,(H,10,11,12)
InChIKeyYBGZBZLSEMOLDT-UHFFFAOYSA-N
XLogP2.33
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-hydroxychromen-2-one
CID 15339907
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
5-chloro-2-iodo-1-benzofuran
CID 147151831
6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one
CID 2134723
6-chlorochromen-2-one
CID 16321
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-benzofuran-2-sulfonic acid?
The IUPAC name of 5-chloro-1-benzofuran-2-sulfonic acid (CID 174798202) is 5-chloro-1-benzofuran-2-sulfonic acid.
What is the SMILES notation for 5-chloro-1-benzofuran-2-sulfonic acid?
The canonical SMILES for 5-chloro-1-benzofuran-2-sulfonic acid is O=S(=O)(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-1-benzofuran-2-sulfonic acid?
The InChIKey is YBGZBZLSEMOLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO4S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H,(H,10,11,12).
What are the key properties of 5-chloro-1-benzofuran-2-sulfonic acid?
5-chloro-1-benzofuran-2-sulfonic acid has a molecular weight of 232.64 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-benzofuran-2-sulfonic acid is sourced from PubChem (CID 174798202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).