(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide

C14H13NO2S — CID 134860389

IUPAC(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide
SMILESC=C1C=CC=C/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H13NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10H,2H2,1H3/b15-14+
InChIKeyIOPJSVAXVVZKTG-CCEZHUSRSA-N
MW259.33 g/mol
LogP2.81
Rot. Bonds2

About (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide

(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide (PubChem CID 134860389) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide
PubChem CID134860389
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide
SMILESC=C1C=CC=C/C1=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H13NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10H,2H2,1H3/b15-14+
InChIKeyIOPJSVAXVVZKTG-CCEZHUSRSA-N
XLogP2.81
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
(NE)-N-[(4E)-3-bromo-4-(4-methylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 23661773
(NE)-4-methyl-N-(4-oxo-5,8-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 11324451
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674
4-methyl-N-(5-oxoquinolin-8-ylidene)benzenesulfonamide
CID 85435433
[6-(4-chlorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-ethoxymethanolate
CID 4740399
N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 3719225
CID 101048548
CID 101048548
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide (CID 134860389) is (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide is C=C1C=CC=C/C1=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide?
The InChIKey is IOPJSVAXVVZKTG-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10H,2H2,1H3/b15-14+.
What are the key properties of (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide?
(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 134860389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).