N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide

C22H23N3O3S — CID 87903022

IUPACN-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(OCCc2ccc(/C=N\N)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-17-7-12-20(28-14-13-18-8-10-19(11-9-18)16-24-23)15-22(17)25-29(26,27)21-5-3-2-4-6-21/h2-12,15-16,25H,13-14,23H2,1H3/b24-16-
InChIKeyHJNWVQKSKQPACN-JLPGSUDCSA-N
MW409.51 g/mol
LogP3.71
Rot. Bonds8

About N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide

N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide (PubChem CID 87903022) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
PubChem CID87903022
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(OCCc2ccc(/C=N\N)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-17-7-12-20(28-14-13-18-8-10-19(11-9-18)16-24-23)15-22(17)25-29(26,27)21-5-3-2-4-6-21/h2-12,15-16,25H,13-14,23H2,1H3/b24-16-
InChIKeyHJNWVQKSKQPACN-JLPGSUDCSA-N
XLogP3.71
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
The IUPAC name of N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide (CID 87903022) is N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide is Cc1ccc(OCCc2ccc(/C=N\N)cc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
The InChIKey is HJNWVQKSKQPACN-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17-7-12-20(28-14-13-18-8-10-19(11-9-18)16-24-23)15-22(17)25-29(26,27)21-5-3-2-4-6-21/h2-12,15-16,25H,13-14,23H2,1H3/b24-16-.
What are the key properties of N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide?
N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 87903022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).