4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide

C10H13FN2OS — CID 54228806

IUPAC4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
SMILESNC(CCCSc1ccc(F)cc1)=NO
InChIInChI=1S/C10H13FN2OS/c11-8-3-5-9(6-4-8)15-7-1-2-10(12)13-14/h3-6,14H,1-2,7H2,(H2,12,13)
InChIKeyQHTFQPMFNVATGC-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.44
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide

4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide (PubChem CID 54228806) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
PubChem CID54228806
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
SMILESNC(CCCSc1ccc(F)cc1)=NO
InChIInChI=1S/C10H13FN2OS/c11-8-3-5-9(6-4-8)15-7-1-2-10(12)13-14/h3-6,14H,1-2,7H2,(H2,12,13)
InChIKeyQHTFQPMFNVATGC-UHFFFAOYSA-N
XLogP2.44
TPSA58.61 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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-((4-Fluorophenyl)sulfonyl)-N-hydroxyacetimidamide
CID 9580384
2-(benzenesulfonyl)-N'-hydroxyethanimidamide
CID 2735439
N-Hydroxy-2-(phenylsulfonyl)ethanimidamide
CID 9580370
2-(Phenylthio)ethanimidamide hydrochloride
CID 2746028
ACMC-20aomf
CID 9648268
2-(4-fluorobenzenesulfonyl)-N'-hydroxyethanimidamide
CID 2737258
(E)-N'-hydroxy-2-(phenylsulfonyl)acetimidamide
CID 5702783
2-Phenylsulfanylethanimidamide
CID 2746029
Ethanimidamide, N-hydroxy-2-(phenylthio)-, monohydrochloride
CID 9588372
Ethanimidamide, N-hydroxy-2-((4-(methylthio)phenyl)thio)-, monohydrochloride
CID 9588383
Ethanimidamide, 2-((4-(ethylthio)phenyl)thio)-N-hydroxy-, monohydrochloride
CID 9588385
CID 5702871
CID 5702871

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide (CID 54228806) is 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide is NC(CCCSc1ccc(F)cc1)=NO.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
The InChIKey is QHTFQPMFNVATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-8-3-5-9(6-4-8)15-7-1-2-10(12)13-14/h3-6,14H,1-2,7H2,(H2,12,13).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide?
4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide has a molecular weight of 228.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 54228806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).