1-methyl-4-(4-nitrophenyl)sulfonylpiperazine

C11H15N3O4S — CID 796442

IUPAC1-methyl-4-(4-nitrophenyl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C11H15N3O4S/c1-12-6-8-13(9-7-12)19(17,18)11-4-2-10(3-5-11)14(15)16/h2-5H,6-9H2,1H3
InChIKeyWXLNVAHDEMUAMA-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.53
Rot. Bonds3

About 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine

1-methyl-4-(4-nitrophenyl)sulfonylpiperazine (PubChem CID 796442) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(4-nitrophenyl)sulfonylpiperazine
PubChem CID796442
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name1-methyl-4-(4-nitrophenyl)sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C11H15N3O4S/c1-12-6-8-13(9-7-12)19(17,18)11-4-2-10(3-5-11)14(15)16/h2-5H,6-9H2,1H3
InChIKeyWXLNVAHDEMUAMA-UHFFFAOYSA-N
XLogP0.53
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.53
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

4-Nitrobenzenesulfonamide
CID 22784
1-((3-Nitrophenyl)sulfonyl)pyrrolidine
CID 247203
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
4-Nitro-N-phenylbenzenesulfonamide
CID 313721
4-[(2-Nitrophenyl)sulfonyl]thiomorpholine
CID 700248
2-Methyl-1-(4-nitrophenylsulfonyl)piperidine
CID 2842827
N-Methyl-4-nitrobenzenesulfonamide
CID 232993
1-(3-Nitrophenylsulfonyl)piperidine
CID 300664
1-(4-Nitrophenylsulfonyl)-4-(piperidin-1-yl)piperidine
CID 24744900
Ethyl 4-(4-nitrophenyl)sulfonylpiperazine-1-carboxylate
CID 741726
2-Ethyl-1-[(4-nitrophenyl)sulfonyl]piperidine
CID 2787058
3-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 3107289

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine (CID 796442) is 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine is CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine?
The InChIKey is WXLNVAHDEMUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-12-6-8-13(9-7-12)19(17,18)11-4-2-10(3-5-11)14(15)16/h2-5H,6-9H2,1H3.
What are the key properties of 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine?
1-methyl-4-(4-nitrophenyl)sulfonylpiperazine has a molecular weight of 285.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 796442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).