1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine

C15H21N3O4S — CID 882670

IUPAC1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H21N3O4S/c19-18(20)14-7-3-4-8-15(14)23(21,22)17-11-9-16(10-12-17)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeyQFVDNQQIDAKMHJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.84
Rot. Bonds4

About 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine

1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine (PubChem CID 882670) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine
PubChem CID882670
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H21N3O4S/c19-18(20)14-7-3-4-8-15(14)23(21,22)17-11-9-16(10-12-17)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeyQFVDNQQIDAKMHJ-UHFFFAOYSA-N
XLogP1.84
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine (CID 882670) is 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine?
The InChIKey is QFVDNQQIDAKMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-18(20)14-7-3-4-8-15(14)23(21,22)17-11-9-16(10-12-17)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2.
What are the key properties of 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine?
1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine has a molecular weight of 339.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 882670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).