1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine

C15H19N5O4S — CID 133282675

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine
SMILESCc1nc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1C
InChIInChI=1S/C15H19N5O4S/c1-12-16-15(11-17(12)2)25(23,24)19-9-7-18(8-10-19)13-3-5-14(6-4-13)20(21)22/h3-6,11H,7-10H2,1-2H3
InChIKeyQXCFPDCTLBUKAH-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.15
Rot. Bonds4

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine (PubChem CID 133282675) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine
PubChem CID133282675
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine
SMILESCc1nc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1C
InChIInChI=1S/C15H19N5O4S/c1-12-16-15(11-17(12)2)25(23,24)19-9-7-18(8-10-19)13-3-5-14(6-4-13)20(21)22/h3-6,11H,7-10H2,1-2H3
InChIKeyQXCFPDCTLBUKAH-UHFFFAOYSA-N
XLogP1.15
TPSA101.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
1-(4-tert-butylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 15997991
3,5-dimethyl-4-[[4-(4-nitrophenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 30159035
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1068502
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 112501974
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-(4-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 19682752
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(4-nitrophenyl)piperazine
CID 2942834
1-(4,5-dibromothiophen-2-yl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 4108166
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-sulfonamide
CID 31753109

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine (CID 133282675) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine is Cc1nc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine?
The InChIKey is QXCFPDCTLBUKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-12-16-15(11-17(12)2)25(23,24)19-9-7-18(8-10-19)13-3-5-14(6-4-13)20(21)22/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine has a molecular weight of 365.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine is sourced from PubChem (CID 133282675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).