2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide

C21H22ClN3O6S — CID 23505510

IUPAC2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide
SMILESCC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O
InChIInChI=1S/C21H22ClN3O6S/c1-21(2)19(27)25(20(28)23-21)11-15(18(26)24-29)12-32(30,31)17-9-5-14(6-10-17)13-3-7-16(22)8-4-13/h3-10,15,29H,11-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyFZNKPZCUWMPFMH-UHFFFAOYSA-N
MW479.94 g/mol
LogP2.23
Rot. Bonds7

About 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide

2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide (PubChem CID 23505510) has the molecular formula C21H22ClN3O6S and a molecular weight of 479.94 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide
PubChem CID23505510
Molecular FormulaC21H22ClN3O6S
Molecular Weight479.94 g/mol
Exact Mass479.09
IUPAC Name2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide
SMILESCC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O
InChIInChI=1S/C21H22ClN3O6S/c1-21(2)19(27)25(20(28)23-21)11-15(18(26)24-29)12-32(30,31)17-9-5-14(6-10-17)13-3-7-16(22)8-4-13/h3-10,15,29H,11-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyFZNKPZCUWMPFMH-UHFFFAOYSA-N
XLogP2.23
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide (CID 23505510) is 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide is CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O.
What is the InChIKey of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide?
The InChIKey is FZNKPZCUWMPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O6S/c1-21(2)19(27)25(20(28)23-21)11-15(18(26)24-29)12-32(30,31)17-9-5-14(6-10-17)13-3-7-16(22)8-4-13/h3-10,15,29H,11-12H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide?
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide has a molecular weight of 479.94 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-hydroxypropanamide is sourced from PubChem (CID 23505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).