[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate

C17H15ClN2O5S — CID 11926966

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
SMILESC[S@@](=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O5S/c1-26(24)14-5-3-2-4-13(14)17(23)25-10-15(21)19-20-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21)(H,20,22)/t26-/m1/s1
InChIKeyVLHNJTJXZPTXPW-AREMUKBSSA-N
MW394.84 g/mol
LogP1.70
Rot. Bonds5

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate (PubChem CID 11926966) has the molecular formula C17H15ClN2O5S and a molecular weight of 394.84 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
PubChem CID11926966
Molecular FormulaC17H15ClN2O5S
Molecular Weight394.84 g/mol
Exact Mass394.04
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
SMILESC[S@@](=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O5S/c1-26(24)14-5-3-2-4-13(14)17(23)25-10-15(21)19-20-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21)(H,20,22)/t26-/m1/s1
InChIKeyVLHNJTJXZPTXPW-AREMUKBSSA-N
XLogP1.70
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methylsulfinylbenzoate
CID 17467396
[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-chlorobenzoate
CID 9067593
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11926927
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 18105543
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 17496466
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564378
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927108
[2-(benzhydrylamino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926664

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate (CID 11926966) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate is C[S@@](=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate?
The InChIKey is VLHNJTJXZPTXPW-AREMUKBSSA-N. The full InChI is InChI=1S/C17H15ClN2O5S/c1-26(24)14-5-3-2-4-13(14)17(23)25-10-15(21)19-20-16(22)11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21)(H,20,22)/t26-/m1/s1.
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate has a molecular weight of 394.84 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate is sourced from PubChem (CID 11926966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).