2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid

C15H13NO5S — CID 587478

IUPAC2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H13NO5S/c1-16(9-15(17)18)22(19,20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)21-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPRFLFNZNIONTPY-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.29
Rot. Bonds4

About 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid

2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid (PubChem CID 587478) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid
PubChem CID587478
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H13NO5S/c1-16(9-15(17)18)22(19,20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)21-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPRFLFNZNIONTPY-UHFFFAOYSA-N
XLogP2.29
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic 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 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid (CID 587478) is 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid?
The InChIKey is PRFLFNZNIONTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c1-16(9-15(17)18)22(19,20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)21-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid?
2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid has a molecular weight of 319.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibenzofuran-2-ylsulfonyl(methyl)amino]acetic acid is sourced from PubChem (CID 587478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).