2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide

C16H14BrClN2O2S — CID 4849041

IUPAC2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H14BrClN2O2S/c1-10(23-12-8-6-11(18)7-9-12)15(21)19-20-16(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyPZFPDTKOULPSPT-UHFFFAOYSA-N
MW413.72 g/mol
LogP4.04
Rot. Bonds4

About 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide

2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide (PubChem CID 4849041) has the molecular formula C16H14BrClN2O2S and a molecular weight of 413.72 g/mol. Its IUPAC name is 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
PubChem CID4849041
Molecular FormulaC16H14BrClN2O2S
Molecular Weight413.72 g/mol
Exact Mass411.96
IUPAC Name2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H14BrClN2O2S/c1-10(23-12-8-6-11(18)7-9-12)15(21)19-20-16(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyPZFPDTKOULPSPT-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.72
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide 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

2-bromo-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9399842
N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 18109178
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60701143

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide (CID 4849041) is 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide is CC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
The InChIKey is PZFPDTKOULPSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2S/c1-10(23-12-8-6-11(18)7-9-12)15(21)19-20-16(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide?
2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide has a molecular weight of 413.72 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 4849041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).