1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

C15H19N3O5S — CID 2829410

IUPAC1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O5S/c19-15-5-4-10-17(15)13-7-6-12(11-14(13)18(20)21)24(22,23)16-8-2-1-3-9-16/h6-7,11H,1-5,8-10H2
InChIKeyFSMQBDIQAFIJKA-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one

1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 2829410) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
PubChem CID2829410
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O5S/c19-15-5-4-10-17(15)13-7-6-12(11-14(13)18(20)21)24(22,23)16-8-2-1-3-9-16/h6-7,11H,1-5,8-10H2
InChIKeyFSMQBDIQAFIJKA-UHFFFAOYSA-N
XLogP1.90
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.90
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

3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide
CID 3092847
1-[4-(Piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
CID 745878
3-Nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
CID 2865744
1-[4-(2-Nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]ethanone
CID 4544760
N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4780147
1-[4-(4-Methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone
CID 4780638
3-nitro-4-(2-oxopyrrolidin-1-yl)-N,N-dipropylbenzenesulfonamide
CID 3119447
4-(3-Nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine
CID 4811394
1-Methyl-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine
CID 5019668
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N,N-dipropylpiperidine-4-carboxamide
CID 24685916
4-(dimethylamino)-3-nitro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 24979335
N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 25163691

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one (CID 2829410) is 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is FSMQBDIQAFIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c19-15-5-4-10-17(15)13-7-6-12(11-14(13)18(20)21)24(22,23)16-8-2-1-3-9-16/h6-7,11H,1-5,8-10H2.
What are the key properties of 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one?
1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 353.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 2829410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).