5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride

C13H14Cl2O4S — CID 58737227

IUPAC5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESO=C(CCCCCl)c1cc2c(c(S(=O)(=O)Cl)c1)OCC2
InChIInChI=1S/C13H14Cl2O4S/c14-5-2-1-3-11(16)10-7-9-4-6-19-13(9)12(8-10)20(15,17)18/h7-8H,1-6H2
InChIKeyAUDZEBKHUAMWGC-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.14
Rot. Bonds6

About 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride

5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride (PubChem CID 58737227) has the molecular formula C13H14Cl2O4S and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride.

Molecular Properties

Compound Name5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
PubChem CID58737227
Molecular FormulaC13H14Cl2O4S
Molecular Weight337.22 g/mol
Exact Mass336.00
IUPAC Name5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
SMILESO=C(CCCCCl)c1cc2c(c(S(=O)(=O)Cl)c1)OCC2
InChIInChI=1S/C13H14Cl2O4S/c14-5-2-1-3-11(16)10-7-9-4-6-19-13(9)12(8-10)20(15,17)18/h7-8H,1-6H2
InChIKeyAUDZEBKHUAMWGC-UHFFFAOYSA-N
XLogP3.14
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide
CID 58870445
5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 58870431
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
2,3,6,7-tetrahydrofuro[3,2-g][1]benzofuran-4-sulfonyl chloride
CID 84710258
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69217676
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
N-methyl-5-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69400630
5-chloro-1-(11-methylidene-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentan-1-one
CID 142260984
[5-[7-(methylsulfamoyl)-2,3-dihydro-1-benzofuran-5-yl]-5-oxopentyl]-[2-[2-(trifluoromethoxy)phenyl]ethyl]carbamic acid
CID 69400814
5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
CID 165461315
7-acetyl-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride
CID 43118893

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The IUPAC name of 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride (CID 58737227) is 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride.
What is the SMILES notation for 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The canonical SMILES for 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride is O=C(CCCCCl)c1cc2c(c(S(=O)(=O)Cl)c1)OCC2.
What is the InChIKey of 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
The InChIKey is AUDZEBKHUAMWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O4S/c14-5-2-1-3-11(16)10-7-9-4-6-19-13(9)12(8-10)20(15,17)18/h7-8H,1-6H2.
What are the key properties of 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride?
5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride has a molecular weight of 337.22 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride is sourced from PubChem (CID 58737227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).