1-hexanoyl-2,3-dihydroindole-5-sulfonamide

C14H20N2O3S — CID 60723591

IUPAC1-hexanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCCCCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H20N2O3S/c1-2-3-4-5-14(17)16-9-8-11-10-12(20(15,18)19)6-7-13(11)16/h6-7,10H,2-5,8-9H2,1H3,(H2,15,18,19)
InChIKeyBSXJAGYVABEKAB-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.80
Rot. Bonds5

About 1-hexanoyl-2,3-dihydroindole-5-sulfonamide

1-hexanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 60723591) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-hexanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-hexanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID60723591
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-hexanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCCCCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H20N2O3S/c1-2-3-4-5-14(17)16-9-8-11-10-12(20(15,18)19)6-7-13(11)16/h6-7,10H,2-5,8-9H2,1H3,(H2,15,18,19)
InChIKeyBSXJAGYVABEKAB-UHFFFAOYSA-N
XLogP1.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 17497175
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 18229955
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
4-[5-[butyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864308
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873

Frequently Asked Questions

What is the IUPAC name of 1-hexanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-hexanoyl-2,3-dihydroindole-5-sulfonamide (CID 60723591) is 1-hexanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-hexanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-hexanoyl-2,3-dihydroindole-5-sulfonamide is CCCCCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-hexanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BSXJAGYVABEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-3-4-5-14(17)16-9-8-11-10-12(20(15,18)19)6-7-13(11)16/h6-7,10H,2-5,8-9H2,1H3,(H2,15,18,19).
What are the key properties of 1-hexanoyl-2,3-dihydroindole-5-sulfonamide?
1-hexanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60723591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).