N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide

C16H14Cl2N2O2S — CID 8957069

IUPACN'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESC[C@H](Sc1c(Cl)cccc1Cl)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2S/c1-10(23-14-12(17)8-5-9-13(14)18)15(21)19-20-16(22)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyWFBPBPBBIQVSSR-JTQLQIEISA-N
MW369.27 g/mol
LogP3.94
Rot. Bonds4

About N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide

N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 8957069) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID8957069
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC NameN'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESC[C@H](Sc1c(Cl)cccc1Cl)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2S/c1-10(23-14-12(17)8-5-9-13(14)18)15(21)19-20-16(22)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyWFBPBPBBIQVSSR-JTQLQIEISA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.94
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-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9059598
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 7466949
(2R)-N-(4-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847766
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 8871772
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
N'-[(2R)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]benzohydrazide
CID 40520069
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
CID 8956006

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide (CID 8957069) is N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide is C[C@H](Sc1c(Cl)cccc1Cl)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is WFBPBPBBIQVSSR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-10(23-14-12(17)8-5-9-13(14)18)15(21)19-20-16(22)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)(H,20,22)/t10-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide?
N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 369.27 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 8957069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).