1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide

C22H23ClN4O5S — CID 41156656

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C22H23ClN4O5S/c1-22(16-5-3-2-4-6-16)20(29)27(21(30)24-22)25-19(28)15-11-13-26(14-12-15)33(31,32)18-9-7-17(23)8-10-18/h2-10,15H,11-14H2,1H3,(H,24,30)(H,25,28)/t22-/m0/s1
InChIKeyOMMJUXKLIUJWBP-QFIPXVFZSA-N
MW490.97 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide (PubChem CID 41156656) has the molecular formula C22H23ClN4O5S and a molecular weight of 490.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
PubChem CID41156656
Molecular FormulaC22H23ClN4O5S
Molecular Weight490.97 g/mol
Exact Mass490.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C22H23ClN4O5S/c1-22(16-5-3-2-4-6-16)20(29)27(21(30)24-22)25-19(28)15-11-13-26(14-12-15)33(31,32)18-9-7-17(23)8-10-18/h2-10,15H,11-14H2,1H3,(H,24,30)(H,25,28)/t22-/m0/s1
InChIKeyOMMJUXKLIUJWBP-QFIPXVFZSA-N
XLogP2.24
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41208727
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446
1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide
CID 9452261
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24542802
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate
CID 27286619
1-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 2321919
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide (CID 41156656) is 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide is C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The InChIKey is OMMJUXKLIUJWBP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23ClN4O5S/c1-22(16-5-3-2-4-6-16)20(29)27(21(30)24-22)25-19(28)15-11-13-26(14-12-15)33(31,32)18-9-7-17(23)8-10-18/h2-10,15H,11-14H2,1H3,(H,24,30)(H,25,28)/t22-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 41156656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).