N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide

C21H19N3O4S — CID 135606823

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-15-6-12-19(13-7-15)29(27,28)24-18-10-8-16(9-11-18)21(26)23-22-14-17-4-2-3-5-20(17)25/h2-14,24-25H,1H3,(H,23,26)/b22-14+
InChIKeyZEQZXDDNOGINME-HYARGMPZSA-N
MW409.47 g/mol
LogP3.27
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 135606823) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID135606823
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-15-6-12-19(13-7-15)29(27,28)24-18-10-8-16(9-11-18)21(26)23-22-14-17-4-2-3-5-20(17)25/h2-14,24-25H,1H3,(H,23,26)/b22-14+
InChIKeyZEQZXDDNOGINME-HYARGMPZSA-N
XLogP3.27
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4153906
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
N-[(3-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4141300
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
[4-bromo-2-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4689967
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
CID 68660292
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135606019
N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 6270484
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 135606823) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZEQZXDDNOGINME-HYARGMPZSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-15-6-12-19(13-7-15)29(27,28)24-18-10-8-16(9-11-18)21(26)23-22-14-17-4-2-3-5-20(17)25/h2-14,24-25H,1H3,(H,23,26)/b22-14+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 135606823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).