1H-isoindole-5-sulfonamide

C8H8N2O2S — CID 154170337

IUPAC1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C=NC2
InChIInChI=1S/C8H8N2O2S/c9-13(11,12)8-2-1-6-4-10-5-7(6)3-8/h1-3,5H,4H2,(H2,9,11,12)
InChIKeyVYXBXKMZVHEVFB-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.27
Rot. Bonds1

About 1H-isoindole-5-sulfonamide

1H-isoindole-5-sulfonamide (PubChem CID 154170337) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 1H-isoindole-5-sulfonamide.

Molecular Properties

Compound Name1H-isoindole-5-sulfonamide
PubChem CID154170337
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C=NC2
InChIInChI=1S/C8H8N2O2S/c9-13(11,12)8-2-1-6-4-10-5-7(6)3-8/h1-3,5H,4H2,(H2,9,11,12)
InChIKeyVYXBXKMZVHEVFB-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dihydrophthalazine-6-sulfonamide
CID 141491435
5-sulfamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 71089634
4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide
CID 148861191
benzene-1,3-disulfonamide
CID 3090044
sodium 2-amino-4-sulfamoylphenolate
CID 102504170
1H-isoindole;molecular hydrogen
CID 178015184
2H-1,4-benzothiazine-6-sulfonamide
CID 91520182
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
4,5-dihydrobenzo[e][1,2,3]benzothiadiazole-8-sulfonamide
CID 11777759
3-iodobenzenesulfonamide
CID 11219806
5-sulfamoyl-1H-indazole-3-carboxylic acid
CID 119086499
2,4-disulfamoylbenzoic acid
CID 70122290

Frequently Asked Questions

What is the IUPAC name of 1H-isoindole-5-sulfonamide?
The IUPAC name of 1H-isoindole-5-sulfonamide (CID 154170337) is 1H-isoindole-5-sulfonamide.
What is the SMILES notation for 1H-isoindole-5-sulfonamide?
The canonical SMILES for 1H-isoindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C=NC2.
What is the InChIKey of 1H-isoindole-5-sulfonamide?
The InChIKey is VYXBXKMZVHEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-13(11,12)8-2-1-6-4-10-5-7(6)3-8/h1-3,5H,4H2,(H2,9,11,12).
What are the key properties of 1H-isoindole-5-sulfonamide?
1H-isoindole-5-sulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-isoindole-5-sulfonamide is sourced from PubChem (CID 154170337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).