N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide

C18H20N2O4S — CID 6219518

IUPACN-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O4S/c1-12-4-5-13(2)18(10-12)25(21,22)20-19-14(3)15-6-7-16-17(11-15)24-9-8-23-16/h4-7,10-11,20H,8-9H2,1-3H3/b19-14-
InChIKeyJDOJJSILDXNMFD-RGEXLXHISA-N
MW360.44 g/mol
LogP2.78
Rot. Bonds4

About N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 6219518) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID6219518
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H20N2O4S/c1-12-4-5-13(2)18(10-12)25(21,22)20-19-14(3)15-6-7-16-17(11-15)24-9-8-23-16/h4-7,10-11,20H,8-9H2,1-3H3/b19-14-
InChIKeyJDOJJSILDXNMFD-RGEXLXHISA-N
XLogP2.78
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.78
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-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
CID 3288647
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 7965468
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-tert-butylbenzenesulfonamide
CID 25237449
2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
CID 136908398
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9217433
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-methylaniline
CID 9014748
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
CID 9217508
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46799199
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
CID 3146849

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide (CID 6219518) is N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is JDOJJSILDXNMFD-RGEXLXHISA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-4-5-13(2)18(10-12)25(21,22)20-19-14(3)15-6-7-16-17(11-15)24-9-8-23-16/h4-7,10-11,20H,8-9H2,1-3H3/b19-14-.
What are the key properties of N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6219518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).