5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride

C8H6ClFO3S — CID 165461315

IUPAC5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H6ClFO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2
InChIKeyJSPNAVMCIRQYKZ-UHFFFAOYSA-N
MW236.65 g/mol
LogP1.93
Rot. Bonds1

About 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride

5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride (PubChem CID 165461315) has the molecular formula C8H6ClFO3S and a molecular weight of 236.65 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
PubChem CID165461315
Molecular FormulaC8H6ClFO3S
Molecular Weight236.65 g/mol
Exact Mass235.97
IUPAC Name5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H6ClFO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2
InChIKeyJSPNAVMCIRQYKZ-UHFFFAOYSA-N
XLogP1.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105332467
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
5-chloro-N-(1,3-thiazol-4-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75520545
5-chloro-N-(1-methylpiperidin-4-yl)-N-phenyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 86807357
2,3,6,7-tetrahydrofuro[3,2-g][1]benzofuran-4-sulfonyl chloride
CID 84710258
5-chloro-N-[(3-imidazol-1-ylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 166308988
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 105031396
5-chloro-7-cyclohexyl-2,3-dihydro-1-benzofuran
CID 141158967
5-chloro-N-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 100725410
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,3,3-trimethylbutan-2-ol
CID 113403469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride?
The IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride (CID 165461315) is 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride.
What is the SMILES notation for 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride?
The canonical SMILES for 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride is O=S(=O)(F)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride?
The InChIKey is JSPNAVMCIRQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2.
What are the key properties of 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride?
5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride has a molecular weight of 236.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride is sourced from PubChem (CID 165461315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).