(2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide

C14H18FN3O4S — CID 57053283

IUPAC(2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide
SMILESCC(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O4S/c1-10(19)16-17-14(20)13-4-2-3-9-18(13)23(21,22)12-7-5-11(15)6-8-12/h5-8,13H,2-4,9H2,1H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyCZDODYSFKQCLDM-ZDUSSCGKSA-N
MW343.38 g/mol
LogP0.54
Rot. Bonds3

About (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide

(2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide (PubChem CID 57053283) has the molecular formula C14H18FN3O4S and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide
PubChem CID57053283
Molecular FormulaC14H18FN3O4S
Molecular Weight343.38 g/mol
Exact Mass343.10
IUPAC Name(2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide
SMILESCC(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O4S/c1-10(19)16-17-14(20)13-4-2-3-9-18(13)23(21,22)12-7-5-11(15)6-8-12/h5-8,13H,2-4,9H2,1H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyCZDODYSFKQCLDM-ZDUSSCGKSA-N
XLogP0.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide?
The IUPAC name of (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide (CID 57053283) is (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide?
The canonical SMILES for (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide is CC(=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide?
The InChIKey is CZDODYSFKQCLDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FN3O4S/c1-10(19)16-17-14(20)13-4-2-3-9-18(13)23(21,22)12-7-5-11(15)6-8-12/h5-8,13H,2-4,9H2,1H3,(H,16,19)(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide?
(2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide has a molecular weight of 343.38 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-acetyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carbohydrazide is sourced from PubChem (CID 57053283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).