3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide

C14H13FN2OS — CID 61244530

IUPAC3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1cccc(Sc2ccc(C(N)=NO)cc2F)c1
InChIInChI=1S/C14H13FN2OS/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)15)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyARGFGQDUFWWEHF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.38
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide

3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 61244530) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
PubChem CID61244530
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1cccc(Sc2ccc(C(N)=NO)cc2F)c1
InChIInChI=1S/C14H13FN2OS/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)15)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyARGFGQDUFWWEHF-UHFFFAOYSA-N
XLogP3.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 76984290
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
3-fluoro-N'-hydroxy-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 43658551
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 106922673
2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 55152258
4-(3-bromophenyl)sulfanyl-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76999831
4-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77024995
3-fluoro-N'-hydroxy-4-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 76975642
3-bromo-4-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82798618
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide (CID 61244530) is 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide is Cc1cccc(Sc2ccc(C(N)=NO)cc2F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is ARGFGQDUFWWEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-9-3-2-4-11(7-9)19-13-6-5-10(8-12(13)15)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 276.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 61244530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).