N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide

C17H18N2O4S — CID 25237532

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O4S/c1-11-4-7-17(12(2)8-11)24(20,21)19-18-13(3)14-5-6-15-16(9-14)23-10-22-15/h4-9,19H,10H2,1-3H3/b18-13-
InChIKeyAYMUHYISIVMFGJ-AQTBWJFISA-N
MW346.41 g/mol
LogP2.73
Rot. Bonds4

About N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide (PubChem CID 25237532) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide
PubChem CID25237532
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O4S/c1-11-4-7-17(12(2)8-11)24(20,21)19-18-13(3)14-5-6-15-16(9-14)23-10-22-15/h4-9,19H,10H2,1-3H3/b18-13-
InChIKeyAYMUHYISIVMFGJ-AQTBWJFISA-N
XLogP2.73
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide (CID 25237532) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is AYMUHYISIVMFGJ-AQTBWJFISA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-4-7-17(12(2)8-11)24(20,21)19-18-13(3)14-5-6-15-16(9-14)23-10-22-15/h4-9,19H,10H2,1-3H3/b18-13-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.73, 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]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 25237532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).