(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione

C15H17ClFN3O4S — CID 95789139

IUPAC(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H17ClFN3O4S/c1-15(13(21)18-14(22)19-15)9-5-7-20(8-6-9)25(23,24)11-4-2-3-10(16)12(11)17/h2-4,9H,5-8H2,1H3,(H2,18,19,21,22)/t15-/m0/s1
InChIKeyIIPBHZWLVDFGPQ-HNNXBMFYSA-N
MW389.84 g/mol
LogP1.48
Rot. Bonds3

About (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 95789139) has the molecular formula C15H17ClFN3O4S and a molecular weight of 389.84 g/mol. Its IUPAC name is (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID95789139
Molecular FormulaC15H17ClFN3O4S
Molecular Weight389.84 g/mol
Exact Mass389.06
IUPAC Name(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H17ClFN3O4S/c1-15(13(21)18-14(22)19-15)9-5-7-20(8-6-9)25(23,24)11-4-2-3-10(16)12(11)17/h2-4,9H,5-8H2,1H3,(H2,18,19,21,22)/t15-/m0/s1
InChIKeyIIPBHZWLVDFGPQ-HNNXBMFYSA-N
XLogP1.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
5-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 139009104
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 75396155
1-[1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263968
5-methyl-5-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 139012491
5-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 56706575
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120705953
4-(3-chloro-2-fluorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66068182
8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109545
(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325392
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 95789139) is (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione is C[C@@]1(C2CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is IIPBHZWLVDFGPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17ClFN3O4S/c1-15(13(21)18-14(22)19-15)9-5-7-20(8-6-9)25(23,24)11-4-2-3-10(16)12(11)17/h2-4,9H,5-8H2,1H3,(H2,18,19,21,22)/t15-/m0/s1.
What are the key properties of (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 389.84 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95789139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).