(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

C15H9F5N2O4S — CID 53363577

IUPAC(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H9F5N2O4S/c16-9-10(17)12(19)14(13(20)11(9)18)26-27(24,25)8-3-1-7(2-4-8)22-6-5-21-15(22)23/h1-4H,5-6H2,(H,21,23)
InChIKeyLADHZSQJQVQOCK-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.68
Rot. Bonds4

About (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363577) has the molecular formula C15H9F5N2O4S and a molecular weight of 408.30 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363577
Molecular FormulaC15H9F5N2O4S
Molecular Weight408.30 g/mol
Exact Mass408.02
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H9F5N2O4S/c16-9-10(17)12(19)14(13(20)11(9)18)26-27(24,25)8-3-1-7(2-4-8)22-6-5-21-15(22)23/h1-4H,5-6H2,(H,21,23)
InChIKeyLADHZSQJQVQOCK-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2,3,4,5,6-pentafluorophenyl) 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

Related Compounds

(2,4-difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363575
(3-fluorophenyl) 4-(2-oxo-1,3-diazinan-1-yl)benzenesulfonate
CID 53364108
(4-cyanophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53371959
(2,4-dinitrophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 89251732
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 113296281
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
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 69308632
2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid
CID 87368036
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363577) is (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is O=C1NCCN1c1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is LADHZSQJQVQOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O4S/c16-9-10(17)12(19)14(13(20)11(9)18)26-27(24,25)8-3-1-7(2-4-8)22-6-5-21-15(22)23/h1-4H,5-6H2,(H,21,23).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 408.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).