N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C23H22IN3O3S — CID 126124709

IUPACN-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(I)c1
InChIInChI=1S/C23H22IN3O3S/c1-16-7-13-22(14-8-16)31(29,30)27(3)21-11-9-18(10-12-21)23(28)26-25-17(2)19-5-4-6-20(24)15-19/h4-15H,1-3H3,(H,26,28)/b25-17-
InChIKeyPYYLWNUAJOVOGT-UQQQWYQISA-N
MW547.42 g/mol
LogP4.58
Rot. Bonds6

About N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 126124709) has the molecular formula C23H22IN3O3S and a molecular weight of 547.42 g/mol. Its IUPAC name is N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID126124709
Molecular FormulaC23H22IN3O3S
Molecular Weight547.42 g/mol
Exact Mass547.04
IUPAC NameN-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(I)c1
InChIInChI=1S/C23H22IN3O3S/c1-16-7-13-22(14-8-16)31(29,30)27(3)21-11-9-18(10-12-21)23(28)26-25-17(2)19-5-4-6-20(24)15-19/h4-15H,1-3H3,(H,26,28)/b25-17-
InChIKeyPYYLWNUAJOVOGT-UQQQWYQISA-N
XLogP4.58
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
CID 126143327
N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 3590974
4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4562303
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 3937488
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878752
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126146935
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 126124709) is N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is C/C(=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(I)c1.
What is the InChIKey of N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PYYLWNUAJOVOGT-UQQQWYQISA-N. The full InChI is InChI=1S/C23H22IN3O3S/c1-16-7-13-22(14-8-16)31(29,30)27(3)21-11-9-18(10-12-21)23(28)26-25-17(2)19-5-4-6-20(24)15-19/h4-15H,1-3H3,(H,26,28)/b25-17-.
What are the key properties of N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 547.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 126124709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).