[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine

C12H10ClN3O2S — CID 80921971

IUPAC[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
SMILESNNc1cccc(Sc2ccccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O2S/c13-8-4-1-2-6-10(8)19-11-7-3-5-9(15-14)12(11)16(17)18/h1-7,15H,14H2
InChIKeyMZDUKQUVNVEHON-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.68
Rot. Bonds4

About [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine

[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine (PubChem CID 80921971) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
PubChem CID80921971
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine
SMILESNNc1cccc(Sc2ccccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O2S/c13-8-4-1-2-6-10(8)19-11-7-3-5-9(15-14)12(11)16(17)18/h1-7,15H,14H2
InChIKeyMZDUKQUVNVEHON-UHFFFAOYSA-N
XLogP3.68
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-nitrophenyl]hydrazine
CID 80923605
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
[3-(1,3-benzoxazol-2-ylsulfanyl)-2-nitrophenyl]hydrazine
CID 80924012
2-(3-hydrazinyl-2-nitrophenyl)sulfanylethanol
CID 80921748
(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
CID 80925330
3-chloro-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107645657
3-(4-chlorophenyl)sulfanyl-N-methyl-2-nitroaniline
CID 80887452
N-methyl-2-nitro-3-phenylsulfanylaniline
CID 80887578
[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
3-chloro-N-(2-methylsulfanylphenyl)-2-nitrobenzamide
CID 79836155
3-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-nitroaniline
CID 104838704

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine (CID 80921971) is [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine is NNc1cccc(Sc2ccccc2Cl)c1[N+](=O)[O-].
What is the InChIKey of [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine?
The InChIKey is MZDUKQUVNVEHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-8-4-1-2-6-10(8)19-11-7-3-5-9(15-14)12(11)16(17)18/h1-7,15H,14H2.
What are the key properties of [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine?
[3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine has a molecular weight of 295.75 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)sulfanyl-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80921971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).