4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide

C14H18N2O2S — CID 6162685

IUPAC4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
SMILESCC1=C/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC1
InChIInChI=1S/C14H18N2O2S/c1-11-6-8-14(9-7-11)19(17,18)16-15-13-5-3-4-12(2)10-13/h6-10,16H,3-5H2,1-2H3/b15-13+
InChIKeyFJJXCKAUGXEJBY-FYWRMAATSA-N
MW278.38 g/mol
LogP2.76
Rot. Bonds3

About 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide

4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide (PubChem CID 6162685) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
PubChem CID6162685
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
SMILESCC1=C/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC1
InChIInChI=1S/C14H18N2O2S/c1-11-6-8-14(9-7-11)19(17,18)16-15-13-5-3-4-12(2)10-13/h6-10,16H,3-5H2,1-2H3/b15-13+
InChIKeyFJJXCKAUGXEJBY-FYWRMAATSA-N
XLogP2.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.76
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

N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
CID 6510927
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
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(E)-[(1R,7S)-2-bicyclo[5.1.0]octanylidene]amino]-4-methylbenzenesulfonamide
CID 6860198
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
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-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
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
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
N-[(Z)-(5-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 129395280
4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
CID 163067301
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide (CID 6162685) is 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide is CC1=C/C(=N/NS(=O)(=O)c2ccc(C)cc2)CCC1.
What is the InChIKey of 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide?
The InChIKey is FJJXCKAUGXEJBY-FYWRMAATSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-6-8-14(9-7-11)19(17,18)16-15-13-5-3-4-12(2)10-13/h6-10,16H,3-5H2,1-2H3/b15-13+.
What are the key properties of 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide?
4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6162685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).