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

C17H20N4O5S — CID 55377896

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1
InChIInChI=1S/C17H20N4O5S/c1-2-26-15-4-6-16(7-5-15)27(24,25)20-11-9-19(10-12-20)17-8-3-14(13-18-17)21(22)23/h3-8,13H,2,9-12H2,1H3
InChIKeyFEUYHXAGIHMIHY-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.90
Rot. Bonds6

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

1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine (PubChem CID 55377896) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
PubChem CID55377896
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1
InChIInChI=1S/C17H20N4O5S/c1-2-26-15-4-6-16(7-5-15)27(24,25)20-11-9-19(10-12-20)17-8-3-14(13-18-17)21(22)23/h3-8,13H,2,9-12H2,1H3
InChIKeyFEUYHXAGIHMIHY-UHFFFAOYSA-N
XLogP1.90
TPSA105.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)-1,4-diazepane
CID 16797151
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-nitro-1,3-benzothiazole
CID 56575912
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
1-(4-ethoxyphenyl)sulfonyl-4-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 18095194
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 30640158
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 25283790
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537662
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzaldehyde
CID 9111516

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine (CID 55377896) is 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
The InChIKey is FEUYHXAGIHMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-2-26-15-4-6-16(7-5-15)27(24,25)20-11-9-19(10-12-20)17-8-3-14(13-18-17)21(22)23/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine?
1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine has a molecular weight of 392.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 55377896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).