3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one

C16H15ClN2O2S — CID 173298807

IUPAC3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(=NN)C(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-21-13-6-2-11(3-7-13)16(19-18)15(20)10-22-14-8-4-12(17)5-9-14/h2-9H,10,18H2,1H3
InChIKeyWFPZVUAQTLABRY-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.37
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one

3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one (PubChem CID 173298807) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
PubChem CID173298807
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(=NN)C(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-21-13-6-2-11(3-7-13)16(19-18)15(20)10-22-14-8-4-12(17)5-9-14/h2-9H,10,18H2,1H3
InChIKeyWFPZVUAQTLABRY-UHFFFAOYSA-N
XLogP3.37
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)sulfanylmethyl 4-methoxybenzoate
CID 134113998
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218829
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
S-(4-chlorobenzoyl)sulfanyl 4-methoxybenzenecarbothioate
CID 12596573
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
CID 66144390
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one (CID 173298807) is 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one is COc1ccc(C(=NN)C(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one?
The InChIKey is WFPZVUAQTLABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-21-13-6-2-11(3-7-13)16(19-18)15(20)10-22-14-8-4-12(17)5-9-14/h2-9H,10,18H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one?
3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one has a molecular weight of 334.83 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 173298807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).