(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride

C9H7ClFN3O2S — CID 87958570

IUPAC(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride
SMILESCS(=O)(=O)/C(Cl)=N/Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C9H7ClFN3O2S/c1-17(15,16)9(10)14-13-7-2-3-8(11)6(4-7)5-12/h2-4,13H,1H3/b14-9+
InChIKeyZPTCVOLVZXQTOU-NTEUORMPSA-N
MW275.69 g/mol
LogP1.66
Rot. Bonds2

About (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride

(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride (PubChem CID 87958570) has the molecular formula C9H7ClFN3O2S and a molecular weight of 275.69 g/mol. Its IUPAC name is (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride
PubChem CID87958570
Molecular FormulaC9H7ClFN3O2S
Molecular Weight275.69 g/mol
Exact Mass274.99
IUPAC Name(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride
SMILESCS(=O)(=O)/C(Cl)=N/Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C9H7ClFN3O2S/c1-17(15,16)9(10)14-13-7-2-3-8(11)6(4-7)5-12/h2-4,13H,1H3/b14-9+
InChIKeyZPTCVOLVZXQTOU-NTEUORMPSA-N
XLogP1.66
TPSA82.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride 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'-(3-cyano-4-fluorophenyl)-2,2,2-trifluoroacetohydrazide;2-fluoro-5-[(2E)-2-(1,1,1-trifluorobutan-2-ylidene)hydrazinyl]benzonitrile
CID 172920960
N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
CID 62317570
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
CID 130856187
5-(2-ethylsulfonylethylamino)-2-fluorobenzonitrile
CID 62316635
5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile
CID 24774060
(1E)-N-(4-chloroanilino)-1-methylsulfonylmethanimidoyl cyanide
CID 117063583
N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 62315969
1-bromo-N-(3-cyano-4-fluorophenyl)methanesulfonamide
CID 83093556
5-(3-ethylsulfonylpropylamino)-2-fluorobenzonitrile
CID 65093319
2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide
CID 140506406
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-(3-cyano-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168610628

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride?
The IUPAC name of (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride (CID 87958570) is (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride?
The canonical SMILES for (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride is CS(=O)(=O)/C(Cl)=N/Nc1ccc(F)c(C#N)c1.
What is the InChIKey of (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride?
The InChIKey is ZPTCVOLVZXQTOU-NTEUORMPSA-N. The full InChI is InChI=1S/C9H7ClFN3O2S/c1-17(15,16)9(10)14-13-7-2-3-8(11)6(4-7)5-12/h2-4,13H,1H3/b14-9+.
What are the key properties of (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride?
(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride has a molecular weight of 275.69 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride is sourced from PubChem (CID 87958570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).