3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide

C21H23FN4O6S — CID 4847098

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H23FN4O6S/c1-15(27)25-9-11-26(12-10-25)33(30,31)19-4-2-3-16(13-19)21(29)24-23-20(28)14-32-18-7-5-17(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29)
InChIKeyHZGSEVXSMKKPIW-UHFFFAOYSA-N
MW478.50 g/mol
LogP0.52
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide

3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide (PubChem CID 4847098) has the molecular formula C21H23FN4O6S and a molecular weight of 478.50 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
PubChem CID4847098
Molecular FormulaC21H23FN4O6S
Molecular Weight478.50 g/mol
Exact Mass478.13
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C21H23FN4O6S/c1-15(27)25-9-11-26(12-10-25)33(30,31)19-4-2-3-16(13-19)21(29)24-23-20(28)14-32-18-7-5-17(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29)
InChIKeyHZGSEVXSMKKPIW-UHFFFAOYSA-N
XLogP0.52
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
4-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-N,N-diethylbenzenesulfonamide
CID 4875542
[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16249990
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide
CID 24980918
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 24981818
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 36411223
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346448
4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2439824
N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2514778

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide (CID 4847098) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)COc3ccc(F)cc3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
The InChIKey is HZGSEVXSMKKPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O6S/c1-15(27)25-9-11-26(12-10-25)33(30,31)19-4-2-3-16(13-19)21(29)24-23-20(28)14-32-18-7-5-17(22)6-8-18/h2-8,13H,9-12,14H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide has a molecular weight of 478.50 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4847098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).