5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide

C14H19NO4S — CID 58870431

IUPAC5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCCCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCC2
InChIInChI=1S/C14H19NO4S/c1-2-3-4-5-12(16)11-8-10-6-7-19-14(10)13(9-11)20(15,17)18/h8-9H,2-7H2,1H3,(H2,15,17,18)
InChIKeyMNROEWYFAOIDBO-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.03
Rot. Bonds6

About 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide

5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 58870431) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID58870431
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCCCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCC2
InChIInChI=1S/C14H19NO4S/c1-2-3-4-5-12(16)11-8-10-6-7-19-14(10)13(9-11)20(15,17)18/h8-9H,2-7H2,1H3,(H2,15,17,18)
InChIKeyMNROEWYFAOIDBO-UHFFFAOYSA-N
XLogP2.03
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 58737227
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(5-iodo-2,3-dihydro-1-benzofuran-7-yl)octan-1-one
CID 114279702
N-[5-(5-chloropentanoyl)-2,3-dihydro-1-benzofuran-7-yl]methanesulfonamide
CID 58870445
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)decan-2-one
CID 115796413
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69217676
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
6-[5-[2-(3-chlorophenyl)ethylamino]pentanoyl]-2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
CID 69229200
1-(4-amino-3,5-dimethylphenyl)octan-1-one
CID 59815155
N-methyl-5-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69400630

Frequently Asked Questions

What is the IUPAC name of 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 58870431) is 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide is CCCCCC(=O)c1cc2c(c(S(N)(=O)=O)c1)OCC2.
What is the InChIKey of 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is MNROEWYFAOIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-3-4-5-12(16)11-8-10-6-7-19-14(10)13(9-11)20(15,17)18/h8-9H,2-7H2,1H3,(H2,15,17,18).
What are the key properties of 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexanoyl-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 58870431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).