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

C16H16N2O4S — CID 6132100

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O4S/c1-2-12-3-6-14(7-4-12)23(19,20)18-17-10-13-5-8-15-16(9-13)22-11-21-15/h3-10,18H,2,11H2,1H3/b17-10-
InChIKeyFYOAZHYGNLCBHN-YVLHZVERSA-N
MW332.38 g/mol
LogP2.29
Rot. Bonds5

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

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide (PubChem CID 6132100) 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]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide
PubChem CID6132100
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O4S/c1-2-12-3-6-14(7-4-12)23(19,20)18-17-10-13-5-8-15-16(9-13)22-11-21-15/h3-10,18H,2,11H2,1H3/b17-10-
InChIKeyFYOAZHYGNLCBHN-YVLHZVERSA-N
XLogP2.29
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.29
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'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
N-(1,3-benzodioxol-5-ylmethyl)-4-isopropylbenzenesulfonamide
CID 802230
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
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide (CID 6132100) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide?
The InChIKey is FYOAZHYGNLCBHN-YVLHZVERSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-2-12-3-6-14(7-4-12)23(19,20)18-17-10-13-5-8-15-16(9-13)22-11-21-15/h3-10,18H,2,11H2,1H3/b17-10-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-ethylbenzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.29, 5 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]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 6132100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).