methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate

C17H14N2O6S — CID 10714430

IUPACmethyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)c1
InChIInChI=1S/C17H14N2O6S/c1-25-16(21)12-6-5-9-14(10-12)26(23,24)19-15(20)11-18(17(19)22)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyPNEMWQVQIVXXIX-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.63
Rot. Bonds4

About methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate

methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate (PubChem CID 10714430) has the molecular formula C17H14N2O6S and a molecular weight of 374.37 g/mol. Its IUPAC name is methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Namemethyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
PubChem CID10714430
Molecular FormulaC17H14N2O6S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Namemethyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)c1
InChIInChI=1S/C17H14N2O6S/c1-25-16(21)12-6-5-9-14(10-12)26(23,24)19-15(20)11-18(17(19)22)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyPNEMWQVQIVXXIX-UHFFFAOYSA-N
XLogP1.63
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
The IUPAC name of methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate (CID 10714430) is methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate.
What is the SMILES notation for methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
The canonical SMILES for methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate is COC(=O)c1cccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)c1.
What is the InChIKey of methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
The InChIKey is PNEMWQVQIVXXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S/c1-25-16(21)12-6-5-9-14(10-12)26(23,24)19-15(20)11-18(17(19)22)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate?
methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate has a molecular weight of 374.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 10714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).