2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid

C17H14N2O7S — CID 21472135

IUPAC2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O7S/c20-15-10-18(12-4-2-1-3-5-12)17(23)19(15)27(24,25)14-8-6-13(7-9-14)26-11-16(21)22/h1-9H,10-11H2,(H,21,22)
InChIKeyZQEWVIGRQYEHCD-UHFFFAOYSA-N
MW390.37 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid

2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid (PubChem CID 21472135) has the molecular formula C17H14N2O7S and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
PubChem CID21472135
Molecular FormulaC17H14N2O7S
Molecular Weight390.37 g/mol
Exact Mass390.05
IUPAC Name2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C17H14N2O7S/c20-15-10-18(12-4-2-1-3-5-12)17(23)19(15)27(24,25)14-8-6-13(7-9-14)26-11-16(21)22/h1-9H,10-11H2,(H,21,22)
InChIKeyZQEWVIGRQYEHCD-UHFFFAOYSA-N
XLogP1.31
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 10620298
prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
CID 10739742
prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 21472170
3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoic acid
CID 10737216
2-[4-(3-fluoro-3-methylazetidin-1-yl)sulfonylphenoxy]acetic acid
CID 136570722
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
CID 21472173
2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 56797616
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
1-hydroxypyrrolidine-2,5-dione;2-phenoxyacetic acid
CID 175172730
2-[4-[4-(carboxymethoxy)phenyl]sulfonyloxyphenoxy]acetic acid
CID 139738775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid?
The IUPAC name of 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid (CID 21472135) is 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid?
The canonical SMILES for 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid?
The InChIKey is ZQEWVIGRQYEHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O7S/c20-15-10-18(12-4-2-1-3-5-12)17(23)19(15)27(24,25)14-8-6-13(7-9-14)26-11-16(21)22/h1-9H,10-11H2,(H,21,22).
What are the key properties of 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid?
2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid has a molecular weight of 390.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid is sourced from PubChem (CID 21472135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).