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

C16H16N2O4S — CID 25237236

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C16H16N2O4S/c1-11-3-6-16(12(2)7-11)23(19,20)18-17-9-13-4-5-14-15(8-13)22-10-21-14/h3-9,18H,10H2,1-2H3/b17-9-
InChIKeyFCBLLKHQWIKTHW-MFOYZWKCSA-N
MW332.38 g/mol
LogP2.34
Rot. Bonds4

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

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide (PubChem CID 25237236) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide
PubChem CID25237236
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C16H16N2O4S/c1-11-3-6-16(12(2)7-11)23(19,20)18-17-9-13-4-5-14-15(8-13)22-10-21-14/h3-9,18H,10H2,1-2H3/b17-9-
InChIKeyFCBLLKHQWIKTHW-MFOYZWKCSA-N
XLogP2.34
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.34
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'}

Analyze N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
CID 784805
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,5-dimethoxybenzenesulfonohydrazide
CID 6131904
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
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
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
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'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]benzenesulfonohydrazide
CID 9634492
LASSBio-1632
CID 154573767
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-4-ethylbenzenesulfonohydrazide
CID 6132100

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide (CID 25237236) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is FCBLLKHQWIKTHW-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-3-6-16(12(2)7-11)23(19,20)18-17-9-13-4-5-14-15(8-13)22-10-21-14/h3-9,18H,10H2,1-2H3/b17-9-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 25237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).