N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide

C14H13ClN2OS — CID 54214681

IUPACN'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2OS/c1-19-13-4-2-3-10(9-13)14(18)17-16-12-7-5-11(15)6-8-12/h2-9,16H,1H3,(H,17,18)
InChIKeyPYIIWENECYKAQZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.82
Rot. Bonds4

About N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide

N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide (PubChem CID 54214681) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
PubChem CID54214681
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2OS/c1-19-13-4-2-3-10(9-13)14(18)17-16-12-7-5-11(15)6-8-12/h2-9,16H,1H3,(H,17,18)
InChIKeyPYIIWENECYKAQZ-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.82
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

3-methylsulfanyl-N'-phenylbenzohydrazide
CID 54107491
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide
CID 600363
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
4-chloro-N-[(2S)-3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 24536254
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide (CID 54214681) is N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide is CSc1cccc(C(=O)NNc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide?
The InChIKey is PYIIWENECYKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-13-4-2-3-10(9-13)14(18)17-16-12-7-5-11(15)6-8-12/h2-9,16H,1H3,(H,17,18).
What are the key properties of N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide?
N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide has a molecular weight of 292.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide is sourced from PubChem (CID 54214681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).