(3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

C15H12F2N2O4S — CID 53363771

IUPAC(3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2N2O4S/c16-13-6-3-11(9-14(13)17)23-24(21,22)12-4-1-10(2-5-12)19-8-7-18-15(19)20/h1-6,9H,7-8H2,(H,18,20)
InChIKeyQVWLSNRYGITRGX-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.26
Rot. Bonds4

About (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

(3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363771) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363771
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name(3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2N2O4S/c16-13-6-3-11(9-14(13)17)23-24(21,22)12-4-1-10(2-5-12)19-8-7-18-15(19)20/h1-6,9H,7-8H2,(H,18,20)
InChIKeyQVWLSNRYGITRGX-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate 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 (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363771) is (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is QVWLSNRYGITRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c16-13-6-3-11(9-14(13)17)23-24(21,22)12-4-1-10(2-5-12)19-8-7-18-15(19)20/h1-6,9H,7-8H2,(H,18,20).
What are the key properties of (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 354.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).