N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide

C17H17ClN2O2S — CID 51148209

IUPACN'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccccc1C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2S/c1-11(2)23-15-10-6-4-8-13(15)17(22)20-19-16(21)12-7-3-5-9-14(12)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyRTRLRTCXKMTMAX-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.92
Rot. Bonds4

About N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide

N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide (PubChem CID 51148209) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
PubChem CID51148209
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
SMILESCC(C)Sc1ccccc1C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2S/c1-11(2)23-15-10-6-4-8-13(15)17(22)20-19-16(21)12-7-3-5-9-14(12)18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyRTRLRTCXKMTMAX-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.92
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'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 78773955
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
CID 4927487
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide (CID 51148209) is N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide is CC(C)Sc1ccccc1C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
The InChIKey is RTRLRTCXKMTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-11(2)23-15-10-6-4-8-13(15)17(22)20-19-16(21)12-7-3-5-9-14(12)18/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide?
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide has a molecular weight of 348.86 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide is sourced from PubChem (CID 51148209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).