4H-indole-5-sulfonamide

C8H8N2O2S — CID 141303895

IUPAC4H-indole-5-sulfonamide
SMILESNS(=O)(=O)C1=CC=C2N=CC=C2C1
InChIInChI=1S/C8H8N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-4H,5H2,(H2,9,11,12)
InChIKeyWPVJAZWYXDZDGV-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.46
Rot. Bonds1

About 4H-indole-5-sulfonamide

4H-indole-5-sulfonamide (PubChem CID 141303895) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4H-indole-5-sulfonamide.

Molecular Properties

Compound Name4H-indole-5-sulfonamide
PubChem CID141303895
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name4H-indole-5-sulfonamide
SMILESNS(=O)(=O)C1=CC=C2N=CC=C2C1
InChIInChI=1S/C8H8N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-4H,5H2,(H2,9,11,12)
InChIKeyWPVJAZWYXDZDGV-UHFFFAOYSA-N
XLogP0.46
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-indole-5-sulfonamide?
The IUPAC name of 4H-indole-5-sulfonamide (CID 141303895) is 4H-indole-5-sulfonamide.
What is the SMILES notation for 4H-indole-5-sulfonamide?
The canonical SMILES for 4H-indole-5-sulfonamide is NS(=O)(=O)C1=CC=C2N=CC=C2C1.
What is the InChIKey of 4H-indole-5-sulfonamide?
The InChIKey is WPVJAZWYXDZDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-4H,5H2,(H2,9,11,12).
What are the key properties of 4H-indole-5-sulfonamide?
4H-indole-5-sulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-indole-5-sulfonamide is sourced from PubChem (CID 141303895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).