1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide

C14H20N2O4S — CID 3243161

IUPAC1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C14H20N2O4S/c1-11(17)16-8-6-12-10-13(4-5-14(12)16)21(18,19)15-7-3-9-20-2/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyHZENCSYHMPFODX-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.91
Rot. Bonds6

About 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 3243161) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID3243161
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C14H20N2O4S/c1-11(17)16-8-6-12-10-13(4-5-14(12)16)21(18,19)15-7-3-9-20-2/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyHZENCSYHMPFODX-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide (CID 3243161) is 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide is COCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HZENCSYHMPFODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(17)16-8-6-12-10-13(4-5-14(12)16)21(18,19)15-7-3-9-20-2/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3243161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).