1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide

C21H24FN3O5S — CID 55342269

IUPAC1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24FN3O5S/c1-15(30-19-13-6-5-11-17(19)22)20(26)23-24-21(27)18-12-7-8-14-25(18)31(28,29)16-9-3-2-4-10-16/h2-6,9-11,13,15,18H,7-8,12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeySITGWDYDINFYMG-UHFFFAOYSA-N
MW449.50 g/mol
LogP1.98
Rot. Bonds6

About 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide

1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide (PubChem CID 55342269) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide
PubChem CID55342269
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24FN3O5S/c1-15(30-19-13-6-5-11-17(19)22)20(26)23-24-21(27)18-12-7-8-14-25(18)31(28,29)16-9-3-2-4-10-16/h2-6,9-11,13,15,18H,7-8,12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeySITGWDYDINFYMG-UHFFFAOYSA-N
XLogP1.98
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
propan-2-yl 3-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]propanoate
CID 51276172
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide?
The IUPAC name of 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide (CID 55342269) is 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide.
What is the SMILES notation for 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide?
The canonical SMILES for 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide?
The InChIKey is SITGWDYDINFYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c1-15(30-19-13-6-5-11-17(19)22)20(26)23-24-21(27)18-12-7-8-14-25(18)31(28,29)16-9-3-2-4-10-16/h2-6,9-11,13,15,18H,7-8,12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide?
1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide has a molecular weight of 449.50 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N'-[2-(2-fluorophenoxy)propanoyl]piperidine-2-carbohydrazide is sourced from PubChem (CID 55342269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).