N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide

C22H19ClN2O2S — CID 9339375

IUPACN'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O2S/c23-19-14-8-7-13-18(19)22(27)25-24-20(26)15-28-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyDALTXWQHEUTSNR-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.62
Rot. Bonds6

About N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide

N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide (PubChem CID 9339375) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
PubChem CID9339375
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O2S/c23-19-14-8-7-13-18(19)22(27)25-24-20(26)15-28-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyDALTXWQHEUTSNR-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
CID 9401840
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
N'-[2-(4-tert-butylphenyl)sulfanylacetyl]-2-chlorobenzohydrazide
CID 35930229
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
2-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 51140256
2-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9339469
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752645
2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide?
The IUPAC name of N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide (CID 9339375) is N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide.
What is the SMILES notation for N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide?
The canonical SMILES for N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide is O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide?
The InChIKey is DALTXWQHEUTSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c23-19-14-8-7-13-18(19)22(27)25-24-20(26)15-28-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27).
What are the key properties of N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide?
N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide has a molecular weight of 410.93 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide is sourced from PubChem (CID 9339375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).