3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid

C11H14N2O6S — CID 60827859

IUPAC3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C11H14N2O6S/c14-10-7-8(11(15)16)1-2-9(10)12-20(17,18)13-3-5-19-6-4-13/h1-2,7,12,14H,3-6H2,(H,15,16)
InChIKeyGKYFHOKJPZJGMM-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.08
Rot. Bonds4

About 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid

3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid (PubChem CID 60827859) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
PubChem CID60827859
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C11H14N2O6S/c14-10-7-8(11(15)16)1-2-9(10)12-20(17,18)13-3-5-19-6-4-13/h1-2,7,12,14H,3-6H2,(H,15,16)
InChIKeyGKYFHOKJPZJGMM-UHFFFAOYSA-N
XLogP0.08
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid 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-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid (CID 60827859) is 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)N2CCOCC2)c(O)c1.
What is the InChIKey of 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid?
The InChIKey is GKYFHOKJPZJGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c14-10-7-8(11(15)16)1-2-9(10)12-20(17,18)13-3-5-19-6-4-13/h1-2,7,12,14H,3-6H2,(H,15,16).
What are the key properties of 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid?
3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid has a molecular weight of 302.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 60827859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).