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

C15H12Cl2N2O4S — CID 53363770

IUPAC(3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2N2O4S/c16-10-7-11(17)9-13(8-10)23-24(21,22)14-3-1-12(2-4-14)19-6-5-18-15(19)20/h1-4,7-9H,5-6H2,(H,18,20)
InChIKeyIFTUPFGIBWJZOI-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.29
Rot. Bonds4

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

(3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363770) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363770
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name(3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H12Cl2N2O4S/c16-10-7-11(17)9-13(8-10)23-24(21,22)14-3-1-12(2-4-14)19-6-5-18-15(19)20/h1-4,7-9H,5-6H2,(H,18,20)
InChIKeyIFTUPFGIBWJZOI-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363770) is (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is IFTUPFGIBWJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c16-10-7-11(17)9-13(8-10)23-24(21,22)14-3-1-12(2-4-14)19-6-5-18-15(19)20/h1-4,7-9H,5-6H2,(H,18,20).
What are the key properties of (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 387.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).