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

C17H19N3O5S — CID 1087313

IUPAC1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H19N3O5S/c1-25-17-5-3-2-4-16(17)18-10-12-19(13-11-18)26(23,24)15-8-6-14(7-9-15)20(21)22/h2-9H,10-13H2,1H3
InChIKeyWWPHINFAWXVIOL-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.11
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine (PubChem CID 1087313) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
PubChem CID1087313
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H19N3O5S/c1-25-17-5-3-2-4-16(17)18-10-12-19(13-11-18)26(23,24)15-8-6-14(7-9-15)20(21)22/h2-9H,10-13H2,1H3
InChIKeyWWPHINFAWXVIOL-UHFFFAOYSA-N
XLogP2.11
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.11
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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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
1-(2-chlorophenyl)-4-(2-methoxy-4-nitrophenyl)sulfonylpiperazine
CID 39631506
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
(E)-1-hydroxy-4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]but-3-en-2-one
CID 58509577
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694958

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine (CID 1087313) is 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine is COc1ccccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The InChIKey is WWPHINFAWXVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-25-17-5-3-2-4-16(17)18-10-12-19(13-11-18)26(23,24)15-8-6-14(7-9-15)20(21)22/h2-9H,10-13H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine has a molecular weight of 377.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine is sourced from PubChem (CID 1087313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).