4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide

C22H21N3O4S — CID 21212184

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-25(30(27,28)20-9-4-3-5-10-20)19-14-12-17(13-15-19)22(26)24-23-16-18-8-6-7-11-21(18)29-2/h3-16H,1-2H3,(H,24,26)/b23-16+
InChIKeyQYDOQCFZUUGXGF-XQNSMLJCSA-N
MW423.49 g/mol
LogP3.28
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 21212184) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID21212184
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-25(30(27,28)20-9-4-3-5-10-20)19-14-12-17(13-15-19)22(26)24-23-16-18-8-6-7-11-21(18)29-2/h3-16H,1-2H3,(H,24,26)/b23-16+
InChIKeyQYDOQCFZUUGXGF-XQNSMLJCSA-N
XLogP3.28
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.28
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-[(2,4-dimethoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2434155
N-{4-[1-benzoyl-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 5156992
N-(2-methoxybenzyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1305730
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-methyl-N-(4-{[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazino]carbonyl}phenyl)benzenesulfonamide
CID 6049307
Benzoic acid 2-{[4-(2,2-dimethyl-propionylamino)-benzoyl]-hydrazonomethyl}-phenyl ester
CID 6871624
N-benzyl-N-(2-{[2-(2,3-dimethoxybenzylidene)hydrazino]carbonyl}phenyl)benzenesulfonamide
CID 6872376
3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6900331
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 6900381
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6900897
N-[4-(3-Ethoxy-4-methoxy-benzylidene-hydrazinocarbonyl)-phenyl]-N-methyl-benzenesulfonamide
CID 9564325
N-(4-{[(2E)-2-(4-methoxybenzylidene)hydrazino]carbonyl}phenyl)-N-methylbenzenesulfonamide
CID 9641980

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide (CID 21212184) is 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide is COc1ccccc1/C=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is QYDOQCFZUUGXGF-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-25(30(27,28)20-9-4-3-5-10-20)19-14-12-17(13-15-19)22(26)24-23-16-18-8-6-7-11-21(18)29-2/h3-16H,1-2H3,(H,24,26)/b23-16+.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 21212184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).