N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide

C22H20F3N3O4S — CID 87903048

IUPACN-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESN/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)cc1
InChIInChI=1S/C22H20F3N3O4S/c23-22(24,25)32-20-6-1-2-7-21(20)33(29,30)28-18-4-3-5-19(14-18)31-13-12-16-8-10-17(11-9-16)15-27-26/h1-11,14-15,28H,12-13,26H2/b27-15-
InChIKeyCVCARYSTFHWYIA-DICXZTSXSA-N
MW479.48 g/mol
LogP4.30
Rot. Bonds9

About N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 87903048) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID87903048
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC NameN-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESN/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)cc1
InChIInChI=1S/C22H20F3N3O4S/c23-22(24,25)32-20-6-1-2-7-21(20)33(29,30)28-18-4-3-5-19(14-18)31-13-12-16-8-10-17(11-9-16)15-27-26/h1-11,14-15,28H,12-13,26H2/b27-15-
InChIKeyCVCARYSTFHWYIA-DICXZTSXSA-N
XLogP4.30
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2,5-dichloro-N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]thiophene-3-sulfonamide;hydrochloride
CID 87902969
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
N-[3-(2-phenylethoxy)phenyl]naphthalene-1-sulfonamide
CID 10294593
N-[5-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]-2-methylphenyl]benzenesulfonamide
CID 87903022
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
2-ethoxy-4-(methylamino)-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 170347385
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31064984

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 87903048) is N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide is N/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CVCARYSTFHWYIA-DICXZTSXSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c23-22(24,25)32-20-6-1-2-7-21(20)33(29,30)28-18-4-3-5-19(14-18)31-13-12-16-8-10-17(11-9-16)15-27-26/h1-11,14-15,28H,12-13,26H2/b27-15-.
What are the key properties of N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 479.48 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 87903048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).