5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide

C11H14FNO2S — CID 137363853

IUPAC5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
SMILESO=C(CCCCSc1ccc(F)cc1)NO
InChIInChI=1S/C11H14FNO2S/c12-9-4-6-10(7-5-9)16-8-2-1-3-11(14)13-15/h4-7,15H,1-3,8H2,(H,13,14)
InChIKeyIYWYCAADWFAUPI-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.59
Rot. Bonds6

About 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide

5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide (PubChem CID 137363853) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
PubChem CID137363853
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
SMILESO=C(CCCCSc1ccc(F)cc1)NO
InChIInChI=1S/C11H14FNO2S/c12-9-4-6-10(7-5-9)16-8-2-1-3-11(14)13-15/h4-7,15H,1-3,8H2,(H,13,14)
InChIKeyIYWYCAADWFAUPI-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
methyl 6-(4-fluorophenyl)sulfanylhexanoate
CID 135365967
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-thiophen-2-ylbutanamide
CID 112793501
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 41271705
6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide
CID 74763669
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 119384723

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide (CID 137363853) is 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide is O=C(CCCCSc1ccc(F)cc1)NO.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide?
The InChIKey is IYWYCAADWFAUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-9-4-6-10(7-5-9)16-8-2-1-3-11(14)13-15/h4-7,15H,1-3,8H2,(H,13,14).
What are the key properties of 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide?
5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide has a molecular weight of 243.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide is sourced from PubChem (CID 137363853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).