2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid

C15H12F2N2O4S — CID 87368036

IUPAC2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid
SMILESO=C1NCCN1c1ccc(S(=O)(=O)O)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H12F2N2O4S/c16-10-5-9(6-11(17)7-10)13-8-12(19-4-3-18-15(19)20)1-2-14(13)24(21,22)23/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22,23)
InChIKeyFODJTSYEIPDUKA-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.41
Rot. Bonds3

About 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid

2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid (PubChem CID 87368036) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid
PubChem CID87368036
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid
SMILESO=C1NCCN1c1ccc(S(=O)(=O)O)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H12F2N2O4S/c16-10-5-9(6-11(17)7-10)13-8-12(19-4-3-18-15(19)20)1-2-14(13)24(21,22)23/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22,23)
InChIKeyFODJTSYEIPDUKA-UHFFFAOYSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid (CID 87368036) is 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid is O=C1NCCN1c1ccc(S(=O)(=O)O)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid?
The InChIKey is FODJTSYEIPDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c16-10-5-9(6-11(17)7-10)13-8-12(19-4-3-18-15(19)20)1-2-14(13)24(21,22)23/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22,23).
What are the key properties of 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid?
2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid has a molecular weight of 354.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonic acid is sourced from PubChem (CID 87368036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).