(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

C13H11NO4S — CID 6324713

IUPAC(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SMILESCOC1=CC(=O)C=C/C1=N/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11NO4S/c1-18-13-9-10(15)7-8-12(13)14-19(16,17)11-5-3-2-4-6-11/h2-9H,1H3/b14-12-
InChIKeyGLAUFNZPVFGIKR-OWBHPGMISA-N
MW277.30 g/mol
LogP1.49
Rot. Bonds3

About (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (PubChem CID 6324713) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
PubChem CID6324713
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SMILESCOC1=CC(=O)C=C/C1=N/S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11NO4S/c1-18-13-9-10(15)7-8-12(13)14-19(16,17)11-5-3-2-4-6-11/h2-9H,1H3/b14-12-
InChIKeyGLAUFNZPVFGIKR-OWBHPGMISA-N
XLogP1.49
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(6Z)-6-(benzenesulfonylimino)-3-oxocyclohexa-1,4-dien-1-yl]benzenesulfonamide
CID 134936394
(NZ)-4-methoxy-N-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 6125311
(NZ)-N-(3-bromo-2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5449417
(NE)-N-[(1Z)-1-(benzenesulfonylimino)naphthalen-2-ylidene]benzenesulfonamide
CID 134925733
N-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 13437743
(NZ)-N-[(4Z)-3-chloro-4-(4-methoxyphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-4-methoxybenzenesulfonamide
CID 5440988
4-methyl-N-[3-(4-methylphenyl)sulfonyl-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 561333
[(2-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
CID 87789006
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
N-[3,5-bis(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 3400464
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674
N-[3-(benzenesulfonyl)-4-oxocyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
CID 3400368

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (CID 6324713) is (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is COC1=CC(=O)C=C/C1=N/S(=O)(=O)c1ccccc1.
What is the InChIKey of (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The InChIKey is GLAUFNZPVFGIKR-OWBHPGMISA-N. The full InChI is InChI=1S/C13H11NO4S/c1-18-13-9-10(15)7-8-12(13)14-19(16,17)11-5-3-2-4-6-11/h2-9H,1H3/b14-12-.
What are the key properties of (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
(NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide has a molecular weight of 277.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 6324713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).