(NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

C15H16FNO2S — CID 134997590

IUPAC(NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C=CC1(C)F
InChIInChI=1S/C15H16FNO2S/c1-11-4-6-14(7-5-11)20(18,19)17-13-8-9-15(3,16)12(2)10-13/h4-10H,1-3H3/b17-13-
InChIKeyKRRFOICEQIVLSN-LGMDPLHJSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds2

About (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (PubChem CID 134997590) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
PubChem CID134997590
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C=CC1(C)F
InChIInChI=1S/C15H16FNO2S/c1-11-4-6-14(7-5-11)20(18,19)17-13-8-9-15(3,16)12(2)10-13/h4-10H,1-3H3/b17-13-
InChIKeyKRRFOICEQIVLSN-LGMDPLHJSA-N
XLogP3.37
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide with MolForge

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Related Compounds

Cyclopentanone p-Toluenesulfonylhydrazone
CID 277894
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
1-Propiophenone tosylhydrazone
CID 280394
N-(tert-Butyl)-p-toluenesulfonamide
CID 246472
Acetone p-tosylhydrazone
CID 265413
N-(4-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 9581544
4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide
CID 5237234
3-Pentanone p-Toluenesulfonylhydrazone
CID 277909
N,4-dimethyl-N-[(trifluoromethyl)sulfanyl]benzene-1-sulfonamide
CID 25013612
N-[(4-methyl-1-phenylpent-1-en-3-ylidene)amino]benzenesulfonamide
CID 354536
N'-Cyclododecylidene-4-methylbenzenesulfonohydrazide
CID 380698

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (CID 134997590) is (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C=CC1(C)F.
What is the InChIKey of (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is KRRFOICEQIVLSN-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-4-6-14(7-5-11)20(18,19)17-13-8-9-15(3,16)12(2)10-13/h4-10H,1-3H3/b17-13-.
What are the key properties of (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-fluoro-3,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 134997590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).