1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine

C15H15ClN4O4S — CID 2799448

IUPAC1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C15H15ClN4O4S/c16-12-1-4-14(5-2-12)25(23,24)19-9-7-18(8-10-19)15-6-3-13(11-17-15)20(21)22/h1-6,11H,7-10H2
InChIKeyIOLCZGTULGNBHP-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine (PubChem CID 2799448) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
PubChem CID2799448
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C15H15ClN4O4S/c16-12-1-4-14(5-2-12)25(23,24)19-9-7-18(8-10-19)15-6-3-13(11-17-15)20(21)22/h1-6,11H,7-10H2
InChIKeyIOLCZGTULGNBHP-UHFFFAOYSA-N
XLogP2.15
TPSA96.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine (CID 2799448) is 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
The InChIKey is IOLCZGTULGNBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c16-12-1-4-14(5-2-12)25(23,24)19-9-7-18(8-10-19)15-6-3-13(11-17-15)20(21)22/h1-6,11H,7-10H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine has a molecular weight of 382.83 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 2799448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).