1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C16H16N2O4S — CID 75386054

IUPAC1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc2c1OCO2
InChIInChI=1S/C16H16N2O4S/c17-23(19,20)13-4-5-14-11(8-13)6-7-18(14)9-12-2-1-3-15-16(12)22-10-21-15/h1-5,8H,6-7,9-10H2,(H2,17,19,20)
InChIKeyCHSUMZJZQTYVGO-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.63
Rot. Bonds3

About 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 75386054) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID75386054
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc2c1OCO2
InChIInChI=1S/C16H16N2O4S/c17-23(19,20)13-4-5-14-11(8-13)6-7-18(14)9-12-2-1-3-15-16(12)22-10-21-15/h1-5,8H,6-7,9-10H2,(H2,17,19,20)
InChIKeyCHSUMZJZQTYVGO-UHFFFAOYSA-N
XLogP1.63
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_mannich(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 75386054) is 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc2c1OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CHSUMZJZQTYVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c17-23(19,20)13-4-5-14-11(8-13)6-7-18(14)9-12-2-1-3-15-16(12)22-10-21-15/h1-5,8H,6-7,9-10H2,(H2,17,19,20).
What are the key properties of 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 75386054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).