N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide

C13H16N2O2S — CID 6510927

IUPACN-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\C=CCCC2)cc1
InChIInChI=1S/C13H16N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h3,5,7-10,15H,2,4,6H2,1H3/b14-12+
InChIKeyWLRAPHSXLCXIRB-WYMLVPIESA-N
MW264.35 g/mol
LogP2.37
Rot. Bonds3

About N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6510927) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
PubChem CID6510927
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C2\C=CCCC2)cc1
InChIInChI=1S/C13H16N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h3,5,7-10,15H,2,4,6H2,1H3/b14-12+
InChIKeyWLRAPHSXLCXIRB-WYMLVPIESA-N
XLogP2.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
CID 6162685
4-methyl-N-[(E)-spiro[5.5]undeca-4,9-dien-3-ylideneamino]benzenesulfonamide
CID 6368598
4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
CID 163067301
N-[(Z)-1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-ylideneamino]-4-methylbenzenesulfonamide
CID 20565981
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
N-[(E)-[(2E)-2-[(4-bromophenyl)methylidene]cyclohex-3-en-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 172640475
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
CID 7115137
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
N-[(E)-[(3S,3aR,9aR)-3-hydroxy-1,2,3,3a,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-4-ylidene]amino]-4-methylbenzenesulfonamide
CID 11013551

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide (CID 6510927) is N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C2\C=CCCC2)cc1.
What is the InChIKey of N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is WLRAPHSXLCXIRB-WYMLVPIESA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h3,5,7-10,15H,2,4,6H2,1H3/b14-12+.
What are the key properties of N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6510927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).