3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

C20H21N3O6S — CID 3668834

IUPAC3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)CN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C20H21N3O6S/c24-20-22(14-18(29-20)15-6-2-1-3-7-15)16-10-12-21(13-11-16)30(27,28)19-9-5-4-8-17(19)23(25)26/h1-9,16,18H,10-14H2
InChIKeyUWOVPHDDXXGLRV-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.94
Rot. Bonds5

About 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 3668834) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID3668834
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)CN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C20H21N3O6S/c24-20-22(14-18(29-20)15-6-2-1-3-7-15)16-10-12-21(13-11-16)30(27,28)19-9-5-4-8-17(19)23(25)26/h1-9,16,18H,10-14H2
InChIKeyUWOVPHDDXXGLRV-UHFFFAOYSA-N
XLogP2.94
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
(4S)-4-benzyl-3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74226305
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596741
1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522461
1-(2-nitrophenyl)sulfonylpiperidin-3-ol
CID 3785315
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-nitrophenyl)sulfonylpiperazine
CID 2902607
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 6359787
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (CID 3668834) is 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2)CN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UWOVPHDDXXGLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c24-20-22(14-18(29-20)15-6-2-1-3-7-15)16-10-12-21(13-11-16)30(27,28)19-9-5-4-8-17(19)23(25)26/h1-9,16,18H,10-14H2.
What are the key properties of 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 431.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3668834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).