(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione

C18H22Cl2N4O4S — CID 31325392

IUPAC(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1=O
InChIInChI=1S/C18H22Cl2N4O4S/c1-18(12-5-6-12)16(25)24(17(26)21-18)11-22-7-9-23(10-8-22)29(27,28)14-4-2-3-13(19)15(14)20/h2-4,12H,5-11H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeySDKHNZPOGKFDCU-GOSISDBHSA-N
MW461.37 g/mol
LogP1.98
Rot. Bonds5

About (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 31325392) has the molecular formula C18H22Cl2N4O4S and a molecular weight of 461.37 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID31325392
Molecular FormulaC18H22Cl2N4O4S
Molecular Weight461.37 g/mol
Exact Mass460.07
IUPAC Name(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1=O
InChIInChI=1S/C18H22Cl2N4O4S/c1-18(12-5-6-12)16(25)24(17(26)21-18)11-22-7-9-23(10-8-22)29(27,28)14-4-2-3-13(19)15(14)20/h2-4,12H,5-11H2,1H3,(H,21,26)/t18-/m1/s1
InChIKeySDKHNZPOGKFDCU-GOSISDBHSA-N
XLogP1.98
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 31325239
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9235504
(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 34647547
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325374
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 86903510
(5S)-3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9235330
3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542042
ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
CID 9281878
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 31325392) is (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)C1=O.
What is the InChIKey of (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is SDKHNZPOGKFDCU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22Cl2N4O4S/c1-18(12-5-6-12)16(25)24(17(26)21-18)11-22-7-9-23(10-8-22)29(27,28)14-4-2-3-13(19)15(14)20/h2-4,12H,5-11H2,1H3,(H,21,26)/t18-/m1/s1.
What are the key properties of (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 461.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 31325392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).