2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide

C24H24N4O5S — CID 2655902

IUPAC2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H24N4O5S/c29-24(25-21-11-5-4-10-20(21)19-8-2-1-3-9-19)18-26-14-16-27(17-15-26)34(32,33)23-13-7-6-12-22(23)28(30)31/h1-13H,14-18H2,(H,25,29)
InChIKeyQSCSSOWMYSFXJA-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.21
Rot. Bonds7

About 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide

2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 2655902) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
PubChem CID2655902
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H24N4O5S/c29-24(25-21-11-5-4-10-20(21)19-8-2-1-3-9-19)18-26-14-16-27(17-15-26)34(32,33)23-13-7-6-12-22(23)28(30)31/h1-13H,14-18H2,(H,25,29)
InChIKeyQSCSSOWMYSFXJA-UHFFFAOYSA-N
XLogP3.21
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.21
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'}

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Related Compounds

N-(2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655894
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
N-(5-chloro-2-methylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655862
(2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide
CID 2690486
N-(benzylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3930007
N-(3-cyanothiophen-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2500298
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24588851
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentylacetamide
CID 8687826
N-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 8687792
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide (CID 2655902) is 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is QSCSSOWMYSFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c29-24(25-21-11-5-4-10-20(21)19-8-2-1-3-9-19)18-26-14-16-27(17-15-26)34(32,33)23-13-7-6-12-22(23)28(30)31/h1-13H,14-18H2,(H,25,29).
What are the key properties of 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide?
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 480.55 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2655902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).