5-(4-fluorophenyl)sulfanylpentanehydrazide

C11H15FN2OS — CID 63580403

IUPAC5-(4-fluorophenyl)sulfanylpentanehydrazide
SMILESNNC(=O)CCCCSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS/c12-9-4-6-10(7-5-9)16-8-2-1-3-11(15)14-13/h4-7H,1-3,8,13H2,(H,14,15)
InChIKeyRBKROBCUPNGARN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.08
Rot. Bonds6

About 5-(4-fluorophenyl)sulfanylpentanehydrazide

5-(4-fluorophenyl)sulfanylpentanehydrazide (PubChem CID 63580403) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanylpentanehydrazide
PubChem CID63580403
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name5-(4-fluorophenyl)sulfanylpentanehydrazide
SMILESNNC(=O)CCCCSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS/c12-9-4-6-10(7-5-9)16-8-2-1-3-11(15)14-13/h4-7H,1-3,8,13H2,(H,14,15)
InChIKeyRBKROBCUPNGARN-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanylpentanehydrazide?
The IUPAC name of 5-(4-fluorophenyl)sulfanylpentanehydrazide (CID 63580403) is 5-(4-fluorophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 5-(4-fluorophenyl)sulfanylpentanehydrazide is NNC(=O)CCCCSc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanylpentanehydrazide?
The InChIKey is RBKROBCUPNGARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c12-9-4-6-10(7-5-9)16-8-2-1-3-11(15)14-13/h4-7H,1-3,8,13H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)sulfanylpentanehydrazide?
5-(4-fluorophenyl)sulfanylpentanehydrazide has a molecular weight of 242.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 63580403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).