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

C16H16N2O6S — CID 25237237

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C16H16N2O6S/c1-21-12-4-6-16(15(8-12)22-2)25(19,20)18-17-9-11-3-5-13-14(7-11)24-10-23-13/h3-9,18H,10H2,1-2H3/b17-9-
InChIKeyBKDHACRYHMQGLI-MFOYZWKCSA-N
MW364.38 g/mol
LogP1.74
Rot. Bonds6

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

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide (PubChem CID 25237237) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
PubChem CID25237237
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C16H16N2O6S/c1-21-12-4-6-16(15(8-12)22-2)25(19,20)18-17-9-11-3-5-13-14(7-11)24-10-23-13/h3-9,18H,10H2,1-2H3/b17-9-
InChIKeyBKDHACRYHMQGLI-MFOYZWKCSA-N
XLogP1.74
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-1,3-benzodioxole-5-sulfonamide
CID 162646099
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 17310876
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 17310896
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 6134050
N-(1,3-benzodioxol-5-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 2063694
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide
CID 4069499
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3887522

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide (CID 25237237) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is BKDHACRYHMQGLI-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-21-12-4-6-16(15(8-12)22-2)25(19,20)18-17-9-11-3-5-13-14(7-11)24-10-23-13/h3-9,18H,10H2,1-2H3/b17-9-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 25237237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).