N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide

C16H15ClN2O2S — CID 2221364

IUPACN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
SMILESO=C(CSCc1ccccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O2S/c17-14-9-5-4-8-13(14)10-22-11-15(20)18-19-16(21)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyFBYUHCNTAFWYCF-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.03
Rot. Bonds5

About N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide

N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide (PubChem CID 2221364) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
PubChem CID2221364
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
SMILESO=C(CSCc1ccccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O2S/c17-14-9-5-4-8-13(14)10-22-11-15(20)18-19-16(21)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyFBYUHCNTAFWYCF-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.03
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'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
CID 9037919
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185
4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
CID 21108830
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide
CID 79682230
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290660
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide (CID 2221364) is N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide is O=C(CSCc1ccccc1Cl)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide?
The InChIKey is FBYUHCNTAFWYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-14-9-5-4-8-13(14)10-22-11-15(20)18-19-16(21)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide?
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide has a molecular weight of 334.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 2221364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).