2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid

C22H23ClN2O7S — CID 18459300

IUPAC2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
SMILESCC(CC(O)(CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1)C(=O)O)N1C(=O)CN(C)C1=O
InChIInChI=1S/C22H23ClN2O7S/c1-14(25-19(26)12-24(2)21(25)29)11-22(30,20(27)28)13-33(31,32)18-10-16(23)8-9-17(18)15-6-4-3-5-7-15/h3-10,14,30H,11-13H2,1-2H3,(H,27,28)
InChIKeyALQBEVZRIWDTMI-UHFFFAOYSA-N
MW494.95 g/mol
LogP2.27
Rot. Bonds8

About 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid

2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid (PubChem CID 18459300) has the molecular formula C22H23ClN2O7S and a molecular weight of 494.95 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
PubChem CID18459300
Molecular FormulaC22H23ClN2O7S
Molecular Weight494.95 g/mol
Exact Mass494.09
IUPAC Name2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
SMILESCC(CC(O)(CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1)C(=O)O)N1C(=O)CN(C)C1=O
InChIInChI=1S/C22H23ClN2O7S/c1-14(25-19(26)12-24(2)21(25)29)11-22(30,20(27)28)13-33(31,32)18-10-16(23)8-9-17(18)15-6-4-3-5-7-15/h3-10,14,30H,11-13H2,1-2H3,(H,27,28)
InChIKeyALQBEVZRIWDTMI-UHFFFAOYSA-N
XLogP2.27
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.95
LogP ≤ 52.27
H-Bond Donors ≤ 52
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 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The IUPAC name of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid (CID 18459300) is 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid is CC(CC(O)(CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1)C(=O)O)N1C(=O)CN(C)C1=O.
What is the InChIKey of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
The InChIKey is ALQBEVZRIWDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O7S/c1-14(25-19(26)12-24(2)21(25)29)11-22(30,20(27)28)13-33(31,32)18-10-16(23)8-9-17(18)15-6-4-3-5-7-15/h3-10,14,30H,11-13H2,1-2H3,(H,27,28).
What are the key properties of 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid?
2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid has a molecular weight of 494.95 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid is sourced from PubChem (CID 18459300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).