1-(4-nitrophenyl)sulfonylpiperidin-2-one

C11H12N2O5S — CID 53406269

IUPAC1-(4-nitrophenyl)sulfonylpiperidin-2-one
SMILESO=C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O5S/c14-11-3-1-2-8-12(11)19(17,18)10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2
InChIKeyXEXICNGASKUGSW-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.30
Rot. Bonds3

About 1-(4-nitrophenyl)sulfonylpiperidin-2-one

1-(4-nitrophenyl)sulfonylpiperidin-2-one (PubChem CID 53406269) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonylpiperidin-2-one.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonylpiperidin-2-one
PubChem CID53406269
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name1-(4-nitrophenyl)sulfonylpiperidin-2-one
SMILESO=C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O5S/c14-11-3-1-2-8-12(11)19(17,18)10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2
InChIKeyXEXICNGASKUGSW-UHFFFAOYSA-N
XLogP1.30
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[4-(azepan-1-yl)phenyl]sulfonylpiperidin-2-one
CID 10065607
1-[4-[di(propan-2-yl)amino]phenyl]sulfonylpiperidin-2-one
CID 10088517
1-(4-nitrophenyl)azepan-2-one
CID 58962770
3-amino-1-(4-nitrophenyl)sulfonylazetidin-2-one
CID 175772702
1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 2463388
1-(4-fluoro-3-methyl-5-nitrophenyl)sulfonylpyrrolidin-2-one
CID 115421917
1-[(2R)-3-(4-nitrophenyl)sulfonyl-2-pyrrolidin-1-ylpropyl]pyrrolidine
CID 2209059
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
(2R)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate
CID 6946056
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
2-(2-oxopyrrolidin-1-yl)sulfonylanthracene-9,10-dione
CID 16805660
(4-nitrophenyl)azanium;4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 45146735

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)sulfonylpiperidin-2-one?
The IUPAC name of 1-(4-nitrophenyl)sulfonylpiperidin-2-one (CID 53406269) is 1-(4-nitrophenyl)sulfonylpiperidin-2-one.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonylpiperidin-2-one?
The canonical SMILES for 1-(4-nitrophenyl)sulfonylpiperidin-2-one is O=C1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonylpiperidin-2-one?
The InChIKey is XEXICNGASKUGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c14-11-3-1-2-8-12(11)19(17,18)10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2.
What are the key properties of 1-(4-nitrophenyl)sulfonylpiperidin-2-one?
1-(4-nitrophenyl)sulfonylpiperidin-2-one has a molecular weight of 284.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonylpiperidin-2-one is sourced from PubChem (CID 53406269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).