4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide

C16H15ClN2O3S — CID 35040935

IUPAC4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1cccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3S/c1-22-13-3-2-4-14(9-13)23-10-15(20)18-19-16(21)11-5-7-12(17)8-6-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyCQJFMNMZJQIJEL-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.90
Rot. Bonds5

About 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 35040935) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
PubChem CID35040935
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1cccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3S/c1-22-13-3-2-4-14(9-13)23-10-15(20)18-19-16(21)11-5-7-12(17)8-6-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyCQJFMNMZJQIJEL-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]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

4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47152631
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9121585
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide (CID 35040935) is 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide is COc1cccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is CQJFMNMZJQIJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-22-13-3-2-4-14(9-13)23-10-15(20)18-19-16(21)11-5-7-12(17)8-6-11/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 350.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 35040935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).