N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

C16H15FN2O2S — CID 8952897

IUPACN'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O2S/c1-11(22-14-9-7-13(17)8-10-14)15(20)18-19-16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyWIZUVAIPTVMRON-NSHDSACASA-N
MW318.37 g/mol
LogP2.77
Rot. Bonds4

About N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide

N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 8952897) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID8952897
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15FN2O2S/c1-11(22-14-9-7-13(17)8-10-14)15(20)18-19-16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyWIZUVAIPTVMRON-NSHDSACASA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8957069
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(4-fluorophenyl)sulfanylpropanoic acid
CID 11820095
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 41141971
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9496112
N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9059598
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069
N-[4-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22778942
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide (CID 8952897) is N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide is C[C@H](Sc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is WIZUVAIPTVMRON-NSHDSACASA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-11(22-14-9-7-13(17)8-10-14)15(20)18-19-16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide?
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 318.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 8952897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).