2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

C18H20N4O5S — CID 15945386

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N4O5S/c23-18(19-15-6-8-16(9-7-15)22(24)25)14-20-10-12-21(13-11-20)28(26,27)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,19,23)
InChIKeyRSRHPJYSALPETK-UHFFFAOYSA-N
MW404.45 g/mol
LogP1.54
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 15945386) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID15945386
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H20N4O5S/c23-18(19-15-6-8-16(9-7-15)22(24)25)14-20-10-12-21(13-11-20)28(26,27)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,19,23)
InChIKeyRSRHPJYSALPETK-UHFFFAOYSA-N
XLogP1.54
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.54
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 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide 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

Sulfanitran
CID 5334
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N-[4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1339985
N-{3-[(4-nitrophenyl)amino]propyl}benzenesulfonamide
CID 2883302
N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
1-(Benzenesulfonyl)-4-(4-nitrophenyl)piperazine
CID 3113458
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(2-(2-(1-Methylpiperidin-4-ylidene)hydrazinyl)-2-oxoethyl)-N-(3-nitrophenyl)benzenesulfonamide
CID 1107740
N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
CID 56953866
1-(2-Nitrophenyl)sulfonyl-4-phenylpiperazine
CID 779470
N-[4-(aminosulfonyl)phenyl]-2-(1-piperidinyl)acetamide
CID 661254

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (CID 15945386) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is RSRHPJYSALPETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c23-18(19-15-6-8-16(9-7-15)22(24)25)14-20-10-12-21(13-11-20)28(26,27)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,19,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 404.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 15945386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).