1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide

C12H14N2O3S — CID 62678193

IUPAC1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
SMILESC=CCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C12H14N2O3S/c1-2-3-12(15)14-7-6-9-8-10(18(13,16)17)4-5-11(9)14/h2,4-5,8H,1,3,6-7H2,(H2,13,16,17)
InChIKeyLIPZRCBVEKQIRJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.80
Rot. Bonds3

About 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide

1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 62678193) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID62678193
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
SMILESC=CCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C12H14N2O3S/c1-2-3-12(15)14-7-6-9-8-10(18(13,16)17)4-5-11(9)14/h2,4-5,8H,1,3,6-7H2,(H2,13,16,17)
InChIKeyLIPZRCBVEKQIRJ-UHFFFAOYSA-N
XLogP0.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide (CID 62678193) is 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide is C=CCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LIPZRCBVEKQIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-3-12(15)14-7-6-9-8-10(18(13,16)17)4-5-11(9)14/h2,4-5,8H,1,3,6-7H2,(H2,13,16,17).
What are the key properties of 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide?
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 266.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 62678193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).