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

C18H20N2O4S — CID 25237448

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-4-14-5-8-16(9-6-14)25(21,22)20-19-13(2)15-7-10-17-18(11-15)24-12-23-17/h5-11,20H,3-4,12H2,1-2H3/b19-13-
InChIKeyQKLGTDDGUDUYLY-UYRXBGFRSA-N
MW360.44 g/mol
LogP3.07
Rot. Bonds6

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

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide (PubChem CID 25237448) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide
PubChem CID25237448
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-4-14-5-8-16(9-6-14)25(21,22)20-19-13(2)15-7-10-17-18(11-15)24-12-23-17/h5-11,20H,3-4,12H2,1-2H3/b19-13-
InChIKeyQKLGTDDGUDUYLY-UYRXBGFRSA-N
XLogP3.07
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.07
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)ethylidene]benzenesulfonohydrazide
CID 5350534
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,5-dimethoxybenzenesulfonohydrazide
CID 6131904
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237236
N'-[(1Z)-1-(1,3-benzodioxol-5-yl)ethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237532
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-fluorobenzenesulfonamide
CID 56642872
4-(1,3-Benzodioxol-5-yl)benzenesulfonamide
CID 127025295
4-(2-Benzo[1,3]dioxol-5-yl-cyclopent-1-enyl)-benzenesulfonamide
CID 10665073
N'-(1,3-benzodioxol-5-ylmethylene)-4-methoxybenzenesulfonohydrazide
CID 5407732
N'-[1-(3,4-dimethoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5411715
N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]benzenesulfonohydrazide
CID 9634492
4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonamide
CID 11337592

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide (CID 25237448) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide?
The InChIKey is QKLGTDDGUDUYLY-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-4-14-5-8-16(9-6-14)25(21,22)20-19-13(2)15-7-10-17-18(11-15)24-12-23-17/h5-11,20H,3-4,12H2,1-2H3/b19-13-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propylbenzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.07, 6 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-propylbenzenesulfonamide is sourced from PubChem (CID 25237448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).