1-(2-nitrophenyl)sulfonylpiperazine

C10H13N3O4S — CID 746514

IUPAC1-(2-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H13N3O4S/c14-13(15)9-3-1-2-4-10(9)18(16,17)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKeyDBCUQKKNQBCTBB-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.19
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonylpiperazine

1-(2-nitrophenyl)sulfonylpiperazine (PubChem CID 746514) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonylpiperazine
PubChem CID746514
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name1-(2-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H13N3O4S/c14-13(15)9-3-1-2-4-10(9)18(16,17)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKeyDBCUQKKNQBCTBB-UHFFFAOYSA-N
XLogP0.19
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-nitrophenyl)sulfonylpiperazine (CID 746514) is 1-(2-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-nitrophenyl)sulfonylpiperazine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(2-nitrophenyl)sulfonylpiperazine?
The InChIKey is DBCUQKKNQBCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-13(15)9-3-1-2-4-10(9)18(16,17)12-7-5-11-6-8-12/h1-4,11H,5-8H2.
What are the key properties of 1-(2-nitrophenyl)sulfonylpiperazine?
1-(2-nitrophenyl)sulfonylpiperazine has a molecular weight of 271.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 746514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).