1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide

C14H16N2O3S — CID 154748876

IUPAC1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide
SMILESCC=CC=CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H16N2O3S/c1-2-3-4-5-14(17)16-9-8-11-6-7-12(10-13(11)16)20(15,18)19/h2-7,10H,8-9H2,1H3,(H2,15,18,19)
InChIKeyMNDXFICDFORWAF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.36
Rot. Bonds3

About 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide

1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 154748876) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide
PubChem CID154748876
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide
SMILESCC=CC=CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H16N2O3S/c1-2-3-4-5-14(17)16-9-8-11-6-7-12(10-13(11)16)20(15,18)19/h2-7,10H,8-9H2,1H3,(H2,15,18,19)
InChIKeyMNDXFICDFORWAF-UHFFFAOYSA-N
XLogP1.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
CID 56806249
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
CID 111496549
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973585
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
CID 113341665
1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86973604
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973582
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973571

Frequently Asked Questions

What is the IUPAC name of 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide (CID 154748876) is 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide is CC=CC=CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MNDXFICDFORWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-3-4-5-14(17)16-9-8-11-6-7-12(10-13(11)16)20(15,18)19/h2-7,10H,8-9H2,1H3,(H2,15,18,19).
What are the key properties of 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide?
1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 154748876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).