3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione

C21H24ClN3O6S — CID 20689556

IUPAC3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)NO)C(=O)C1(C)C
InChIInChI=1S/C21H24ClN3O6S/c1-21(2)19(26)25(20(27)24(21)3)12-15(23-28)13-32(29,30)18-10-8-17(9-11-18)31-16-6-4-14(22)5-7-16/h4-11,15,23,28H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyYYTLUYCIGDYAJY-HNNXBMFYSA-N
MW481.96 g/mol
LogP2.93
Rot. Bonds8

About 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 20689556) has the molecular formula C21H24ClN3O6S and a molecular weight of 481.96 g/mol. Its IUPAC name is 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID20689556
Molecular FormulaC21H24ClN3O6S
Molecular Weight481.96 g/mol
Exact Mass481.11
IUPAC Name3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)NO)C(=O)C1(C)C
InChIInChI=1S/C21H24ClN3O6S/c1-21(2)19(26)25(20(27)24(21)3)12-15(23-28)13-32(29,30)18-10-8-17(9-11-18)31-16-6-4-14(22)5-7-16/h4-11,15,23,28H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyYYTLUYCIGDYAJY-HNNXBMFYSA-N
XLogP2.93
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 20689556) is 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione is CN1C(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)NO)C(=O)C1(C)C.
What is the InChIKey of 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is YYTLUYCIGDYAJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24ClN3O6S/c1-21(2)19(26)25(20(27)24(21)3)12-15(23-28)13-32(29,30)18-10-8-17(9-11-18)31-16-6-4-14(22)5-7-16/h4-11,15,23,28H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 481.96 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-[4-(4-chlorophenoxy)phenyl]sulfonyl-2-(hydroxyamino)propyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 20689556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).