1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

C18H24N2O3S — CID 3245229

IUPAC1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21
InChIInChI=1S/C18H24N2O3S/c1-14(21)20-12-10-16-13-17(7-8-18(16)20)24(22,23)19-11-9-15-5-3-2-4-6-15/h5,7-8,13,19H,2-4,6,9-12H2,1H3
InChIKeyWAPKAHHUONUUAU-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.76
Rot. Bonds5

About 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 3245229) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID3245229
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21
InChIInChI=1S/C18H24N2O3S/c1-14(21)20-12-10-16-13-17(7-8-18(16)20)24(22,23)19-11-9-15-5-3-2-4-6-15/h5,7-8,13,19H,2-4,6,9-12H2,1H3
InChIKeyWAPKAHHUONUUAU-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 3245229) is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WAPKAHHUONUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14(21)20-12-10-16-13-17(7-8-18(16)20)24(22,23)19-11-9-15-5-3-2-4-6-15/h5,7-8,13,19H,2-4,6,9-12H2,1H3.
What are the key properties of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3245229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).