4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide

C19H21N3O4S — CID 10786440

IUPAC4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(/C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-15-7-9-17(10-8-15)27(24,25)21-20-18(16-5-3-2-4-6-16)19(23)22-11-13-26-14-12-22/h2-10,21H,11-14H2,1H3/b20-18+
InChIKeyLOCRQPZYTDSVJK-CZIZESTLSA-N
MW387.46 g/mol
LogP1.54
Rot. Bonds5

About 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide

4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide (PubChem CID 10786440) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
PubChem CID10786440
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(/C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-15-7-9-17(10-8-15)27(24,25)21-20-18(16-5-3-2-4-6-16)19(23)22-11-13-26-14-12-22/h2-10,21H,11-14H2,1H3/b20-18+
InChIKeyLOCRQPZYTDSVJK-CZIZESTLSA-N
XLogP1.54
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[2-(azepan-1-yl)-2-oxo-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 10620959
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
CID 16748552
N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
CID 6415851
4-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzenesulfonamide
CID 6383602
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 16579759

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide (CID 10786440) is 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(/C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide?
The InChIKey is LOCRQPZYTDSVJK-CZIZESTLSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-15-7-9-17(10-8-15)27(24,25)21-20-18(16-5-3-2-4-6-16)19(23)22-11-13-26-14-12-22/h2-10,21H,11-14H2,1H3/b20-18+.
What are the key properties of 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide?
4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide is sourced from PubChem (CID 10786440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).