4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide

C15H15ClN2OS — CID 103290660

IUPAC4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccc(CSCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-14-4-2-1-3-13(14)10-20-9-11-5-7-12(8-6-11)15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyXWHZYFWZMCDUMR-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.38
Rot. Bonds5

About 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide

4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide (PubChem CID 103290660) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
PubChem CID103290660
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
SMILESNNC(=O)c1ccc(CSCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c16-14-4-2-1-3-13(14)10-20-9-11-5-7-12(8-6-11)15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyXWHZYFWZMCDUMR-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290684
1-chloro-2-[(4-iodophenyl)methylsulfanylmethyl]benzene
CID 103289356
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681
3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
CID 103288323
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
CID 9037919
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
2-[2-[(4-chlorophenyl)methylsulfanylmethyl]phenyl]acetic acid
CID 114790026
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide (CID 103290660) is 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide is NNC(=O)c1ccc(CSCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide?
The InChIKey is XWHZYFWZMCDUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-14-4-2-1-3-13(14)10-20-9-11-5-7-12(8-6-11)15(19)18-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide?
4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide has a molecular weight of 306.82 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide is sourced from PubChem (CID 103290660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).