1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one

C11H13N3O5S — CID 22222409

IUPAC1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCNCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5S/c1-8-2-3-10(9(6-8)14(16)17)20(18,19)13-5-4-12-7-11(13)15/h2-3,6,12H,4-5,7H2,1H3
InChIKeyGIZAYZAVYHGSFO-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.02
Rot. Bonds3

About 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one

1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one (PubChem CID 22222409) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one
PubChem CID22222409
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCNCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5S/c1-8-2-3-10(9(6-8)14(16)17)20(18,19)13-5-4-12-7-11(13)15/h2-3,6,12H,4-5,7H2,1H3
InChIKeyGIZAYZAVYHGSFO-UHFFFAOYSA-N
XLogP0.02
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
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'}

Analyze 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one 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-methyl-2-nitrophenyl)sulfonylpiperazin-2-one;hydrochloride
CID 68802288
1-(4-methyl-2-nitrophenyl)sulfonylazepane
CID 973417
1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-ol;hydrochloride
CID 174467980
1-(4-chloro-2-methyl-6-nitrophenyl)sulfonylpiperazin-2-one
CID 22222361
(8aR)-7-(4-methyl-2-nitrophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 96533482
1-benzyl-4-(4-methyl-2-nitrophenyl)sulfonylpiperazine
CID 162385737
1-[2-(5-methyl-2-nitrophenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260842
1-(4-bromo-2-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982172
(3S)-3-methyl-1-(5-methyl-2-nitrophenyl)piperazine
CID 104977584
1-(2,5-dimethyl-3-nitrophenyl)piperazine
CID 4738795
1-(4-methoxy-2-nitrophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969721
3-[1-(4-methyl-2-nitrophenyl)pyridin-1-ium-4-yl]imidazolidine-2,4-dione
CID 54453884

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one (CID 22222409) is 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one is Cc1ccc(S(=O)(=O)N2CCNCC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one?
The InChIKey is GIZAYZAVYHGSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-8-2-3-10(9(6-8)14(16)17)20(18,19)13-5-4-12-7-11(13)15/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one?
1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one has a molecular weight of 299.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-nitrophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 22222409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).