N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide

C19H22N2O4S — CID 25237449

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4S/c1-13(14-5-10-17-18(11-14)25-12-24-17)20-21-26(22,23)16-8-6-15(7-9-16)19(2,3)4/h5-11,21H,12H2,1-4H3/b20-13-
InChIKeyMNALUETZEMXSRD-MOSHPQCFSA-N
MW374.46 g/mol
LogP3.42
Rot. Bonds4

About N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide (PubChem CID 25237449) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide
PubChem CID25237449
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O4S/c1-13(14-5-10-17-18(11-14)25-12-24-17)20-21-26(22,23)16-8-6-15(7-9-16)19(2,3)4/h5-11,21H,12H2,1-4H3/b20-13-
InChIKeyMNALUETZEMXSRD-MOSHPQCFSA-N
XLogP3.42
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 5094296
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
2-(1,3-benzodioxol-5-yl)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]acetamide
CID 126150748
N-[(Z)-1-(1,3-benzodioxol-5-yl)butylideneamino]-4-methylbenzenesulfonamide
CID 139261298
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6219518
1,3-benzodioxol-5-yl-(4-tert-butylphenyl)methanone
CID 43337774
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-4-carboxamide
CID 6941497
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]benzamide
CID 5416358
N-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233838
N'-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxamide
CID 6085946
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propan-2-ylbenzamide
CID 3616395
N,N'-bis[1-(1,3-benzodioxol-5-yl)ethylideneamino]heptanediamide
CID 4198413

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide (CID 25237449) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide?
The InChIKey is MNALUETZEMXSRD-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(14-5-10-17-18(11-14)25-12-24-17)20-21-26(22,23)16-8-6-15(7-9-16)19(2,3)4/h5-11,21H,12H2,1-4H3/b20-13-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 25237449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).