N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide

C23H32N2O3S — CID 135592238

IUPACN-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H32N2O3S/c1-15-9-11-18(12-10-15)29(27,28)25-24-16(2)17-13-19(22(3,4)5)21(26)20(14-17)23(6,7)8/h9-14,25-26H,1-8H3/b24-16-
InChIKeyUSUUTMGDLPAYNF-JLPGSUDCSA-N
MW416.59 g/mol
LogP5.00
Rot. Bonds4

About N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135592238) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
PubChem CID135592238
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H32N2O3S/c1-15-9-11-18(12-10-15)29(27,28)25-24-16(2)17-13-19(22(3,4)5)21(26)20(14-17)23(6,7)8/h9-14,25-26H,1-8H3/b24-16-
InChIKeyUSUUTMGDLPAYNF-JLPGSUDCSA-N
XLogP5.00
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 5094296
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
4-tert-butyl-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135647807
N-(3-tert-butyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 800852

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide (CID 135592238) is N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is USUUTMGDLPAYNF-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-15-9-11-18(12-10-15)29(27,28)25-24-16(2)17-13-19(22(3,4)5)21(26)20(14-17)23(6,7)8/h9-14,25-26H,1-8H3/b24-16-.
What are the key properties of N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135592238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).