N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

C19H21FN4O5S — CID 24789945

IUPACN-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21FN4O5S/c20-17-6-1-2-7-18(17)21-19(25)8-9-22-10-12-23(13-11-22)30(28,29)16-5-3-4-15(14-16)24(26)27/h1-7,14H,8-13H2,(H,21,25)
InChIKeyZPPNLFTVWLELTQ-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.07
Rot. Bonds7

About N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 24789945) has the molecular formula C19H21FN4O5S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID24789945
Molecular FormulaC19H21FN4O5S
Molecular Weight436.47 g/mol
Exact Mass436.12
IUPAC NameN-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H21FN4O5S/c20-17-6-1-2-7-18(17)21-19(25)8-9-22-10-12-23(13-11-22)30(28,29)16-5-3-4-15(14-16)24(26)27/h1-7,14H,8-13H2,(H,21,25)
InChIKeyZPPNLFTVWLELTQ-UHFFFAOYSA-N
XLogP2.07
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.07
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-[4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1339985
N-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-phenyloxamide
CID 2883755
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(3-{4-[4-(4-fluoro-benzenesulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10253106
CB29 (derivative 14)
CID 28020013
CB29 (derivative 19)
CID 17560769
N-{4-[4-(4-Fluoro-phenyl)-piperazine-1-sulfonyl]-phenyl}-propionamide
CID 1091555
N~1~-[4-(acetylamino)phenyl]-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2943499
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2991092
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3241687
N-(2-methylsulfanylphenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3912824
2-[4-(4-Fluorobenzenesulfonyl)piperazin-1-YL]-N-(4-sulfamoylphenyl)acetamide
CID 5190289

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide (CID 24789945) is N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide is O=C(CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is ZPPNLFTVWLELTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O5S/c20-17-6-1-2-7-18(17)21-19(25)8-9-22-10-12-23(13-11-22)30(28,29)16-5-3-4-15(14-16)24(26)27/h1-7,14H,8-13H2,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 436.47 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 24789945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).