2,3-dihydro-1H-isoindole-5-sulfonamide

C8H10N2O2S — CID 54592923

IUPAC2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C8H10N2O2S/c9-13(11,12)8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2,(H2,9,11,12)
InChIKeyYHTYHTVTDQHXMQ-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.06
Rot. Bonds1

About 2,3-dihydro-1H-isoindole-5-sulfonamide

2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 54592923) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID54592923
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C8H10N2O2S/c9-13(11,12)8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2,(H2,9,11,12)
InChIKeyYHTYHTVTDQHXMQ-UHFFFAOYSA-N
XLogP-0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-isoindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of 2,3-dihydro-1H-isoindole-5-sulfonamide (CID 54592923) is 2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for 2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for 2,3-dihydro-1H-isoindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is YHTYHTVTDQHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-13(11,12)8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2,(H2,9,11,12).
What are the key properties of 2,3-dihydro-1H-isoindole-5-sulfonamide?
2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 198.25 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 54592923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).