1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one

C11H10N2O5S — CID 118190643

IUPAC1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one
SMILESO=C1C=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H10N2O5S/c14-9-4-3-7-12(8-9)19(17,18)11-6-2-1-5-10(11)13(15)16/h1-6H,7-8H2
InChIKeyYSXVRNQRARJDOT-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.72
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one

1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one (PubChem CID 118190643) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one
PubChem CID118190643
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one
SMILESO=C1C=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H10N2O5S/c14-9-4-3-7-12(8-9)19(17,18)11-6-2-1-5-10(11)13(15)16/h1-6H,7-8H2
InChIKeyYSXVRNQRARJDOT-UHFFFAOYSA-N
XLogP0.72
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.72
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'}

Analyze 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
3,6,9,12-tetrakis[(2-nitrophenyl)sulfonyl]-3,6,9,12-tetrazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 101172308
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
5-hydroxy-2-(2-nitrophenyl)sulfonyl-3,5-dihydro-1H-2-benzazepin-4-one
CID 142108459
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
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
1-(2-nitrophenyl)sulfonylpiperidin-3-ol
CID 3785315

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one (CID 118190643) is 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one is O=C1C=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one?
The InChIKey is YSXVRNQRARJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c14-9-4-3-7-12(8-9)19(17,18)11-6-2-1-5-10(11)13(15)16/h1-6H,7-8H2.
What are the key properties of 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one?
1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one has a molecular weight of 282.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 118190643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).