4-(4-fluorophenyl)sulfanylbutanehydrazide

C10H13FN2OS — CID 63580028

IUPAC4-(4-fluorophenyl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(F)cc1
InChIInChI=1S/C10H13FN2OS/c11-8-3-5-9(6-4-8)15-7-1-2-10(14)13-12/h3-6H,1-2,7,12H2,(H,13,14)
InChIKeyFKWNCQIACJNQKJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.69
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanylbutanehydrazide

4-(4-fluorophenyl)sulfanylbutanehydrazide (PubChem CID 63580028) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylbutanehydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylbutanehydrazide
PubChem CID63580028
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name4-(4-fluorophenyl)sulfanylbutanehydrazide
SMILESNNC(=O)CCCSc1ccc(F)cc1
InChIInChI=1S/C10H13FN2OS/c11-8-3-5-9(6-4-8)15-7-1-2-10(14)13-12/h3-6H,1-2,7,12H2,(H,13,14)
InChIKeyFKWNCQIACJNQKJ-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.69
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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Related Compounds

5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
CID 137363853
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
CID 63581095
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
5-naphthalen-2-ylsulfanylpentanehydrazide
CID 55213311
5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054
4-(4-amino-3-chlorophenyl)sulfanylbutanehydrazide
CID 79149650
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911
hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 66338804
6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
CID 79143496
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
methyl 6-(4-fluorophenyl)sulfanylhexanoate
CID 135365967
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylbutanehydrazide?
The IUPAC name of 4-(4-fluorophenyl)sulfanylbutanehydrazide (CID 63580028) is 4-(4-fluorophenyl)sulfanylbutanehydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylbutanehydrazide?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylbutanehydrazide is NNC(=O)CCCSc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylbutanehydrazide?
The InChIKey is FKWNCQIACJNQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-8-3-5-9(6-4-8)15-7-1-2-10(14)13-12/h3-6H,1-2,7,12H2,(H,13,14).
What are the key properties of 4-(4-fluorophenyl)sulfanylbutanehydrazide?
4-(4-fluorophenyl)sulfanylbutanehydrazide has a molecular weight of 228.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylbutanehydrazide is sourced from PubChem (CID 63580028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).