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

C15H12F2N2O4S — CID 53363575

IUPAC(2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2N2O4S/c16-10-1-6-14(13(17)9-10)23-24(21,22)12-4-2-11(3-5-12)19-8-7-18-15(19)20/h1-6,9H,7-8H2,(H,18,20)
InChIKeyVUYXOICKLGGBLQ-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.26
Rot. Bonds4

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

(2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363575) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363575
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name(2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2N2O4S/c16-10-1-6-14(13(17)9-10)23-24(21,22)12-4-2-11(3-5-12)19-8-7-18-15(19)20/h1-6,9H,7-8H2,(H,18,20)
InChIKeyVUYXOICKLGGBLQ-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'}

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363577
(3-fluorophenyl) 4-(2-oxo-1,3-diazinan-1-yl)benzenesulfonate
CID 53364108
(2,4-dinitrophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 89251732
(4-cyanophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53371959
(2,4-difluorophenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate
CID 55512724
(2,4-difluorophenyl) 4-acetamidobenzenesulfonate
CID 51178770
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
N-(3-fluoro-4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 71102161
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299345
1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
CID 115370462
1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
CID 113399851
2-(4-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 67355228

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363575) is (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccc(F)cc2F)cc1.
What is the InChIKey of (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is VUYXOICKLGGBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c16-10-1-6-14(13(17)9-10)23-24(21,22)12-4-2-11(3-5-12)19-8-7-18-15(19)20/h1-6,9H,7-8H2,(H,18,20).
What are the key properties of (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(2,4-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 (2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).