(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

C18H20N2O4S — CID 5450853

IUPAC(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SMILESCC1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C18H20N2O4S/c1-13-3-5-16(6-4-13)25(22,23)19-15-11-14(2)18(21)17(12-15)20-7-9-24-10-8-20/h3-6,11-12H,7-10H2,1-2H3/b19-15-
InChIKeyQFCKGSOQBXSOIC-CYVLTUHYSA-N
MW360.44 g/mol
LogP1.87
Rot. Bonds3

About (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (PubChem CID 5450853) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
PubChem CID5450853
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
SMILESCC1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C18H20N2O4S/c1-13-3-5-16(6-4-13)25(22,23)19-15-11-14(2)18(21)17(12-15)20-7-9-24-10-8-20/h3-6,11-12H,7-10H2,1-2H3/b19-15-
InChIKeyQFCKGSOQBXSOIC-CYVLTUHYSA-N
XLogP1.87
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methyl-N-(3-morpholin-4-yl-4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 1100579
N-[2,3-dimethyl-5-(4-morpholinyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-4-methylbenzenesulfonamide
CID 5675673
n-[5-(Dimethylamino)-2,3-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene]-4-methylbenzenesulfonamide
CID 5415564
N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
CID 2358633
4-Methyl-n-[3-(4-morpholinyl)-4-oxo-1(4h)-naphthalenylidene]benzenesulfonamide
CID 5440655
(NE)-4-methyl-N-(3-morpholin-4-yl-4-oxonaphthalen-1-ylidene)benzenesulfonamide
CID 5727968
4-methyl-N-(2,5,5,6,6-pentachloro-3-morpholin-4-yl-4-oxocyclohex-2-en-1-ylidene)benzenesulfonamide
CID 3396572
3-[1-(4-Methylphenyl)sulfonyl-6-(morpholin-4-ylmethyl)-3a,7a-dihydroindol-2-yl]-3-oxopropanenitrile
CID 123255717
N-[5-(dimethylamino)-2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide
CID 884720
4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 1187091
N-(2,3-dimethyl-4-oxo-5-piperidin-1-ylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
CID 2358634
4-methyl-N-(3-methyl-4-oxo-5-piperidin-1-ylcyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5268865

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (CID 5450853) is (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is CC1=C/C(=N/S(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O.
What is the InChIKey of (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
The InChIKey is QFCKGSOQBXSOIC-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-3-5-16(6-4-13)25(22,23)19-15-11-14(2)18(21)17(12-15)20-7-9-24-10-8-20/h3-6,11-12H,7-10H2,1-2H3/b19-15-.
What are the key properties of (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide?
(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is sourced from PubChem (CID 5450853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).