3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide

C10H13BN2O5S — CID 67354400

IUPAC3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide
SMILESNS(=O)(=O)NC(=O)CCc1cccc2c1B(O)OC2
InChIInChI=1S/C10H13BN2O5S/c12-19(16,17)13-9(14)5-4-7-2-1-3-8-6-18-11(15)10(7)8/h1-3,15H,4-6H2,(H,13,14)(H2,12,16,17)
InChIKeyBYJFSFBBODUWBS-UHFFFAOYSA-N
MW284.10 g/mol
LogP-1.84
Rot. Bonds4

About 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide

3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide (PubChem CID 67354400) has the molecular formula C10H13BN2O5S and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide.

Molecular Properties

Compound Name3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide
PubChem CID67354400
Molecular FormulaC10H13BN2O5S
Molecular Weight284.10 g/mol
Exact Mass284.06
IUPAC Name3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide
SMILESNS(=O)(=O)NC(=O)CCc1cccc2c1B(O)OC2
InChIInChI=1S/C10H13BN2O5S/c12-19(16,17)13-9(14)5-4-7-2-1-3-8-6-18-11(15)10(7)8/h1-3,15H,4-6H2,(H,13,14)(H2,12,16,17)
InChIKeyBYJFSFBBODUWBS-UHFFFAOYSA-N
XLogP-1.84
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide 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 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide?
The IUPAC name of 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide (CID 67354400) is 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide.
What is the SMILES notation for 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide?
The canonical SMILES for 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide is NS(=O)(=O)NC(=O)CCc1cccc2c1B(O)OC2.
What is the InChIKey of 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide?
The InChIKey is BYJFSFBBODUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BN2O5S/c12-19(16,17)13-9(14)5-4-7-2-1-3-8-6-18-11(15)10(7)8/h1-3,15H,4-6H2,(H,13,14)(H2,12,16,17).
What are the key properties of 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide?
3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide has a molecular weight of 284.10 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)-N-sulfamoylpropanamide is sourced from PubChem (CID 67354400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).