N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

C16H18N2O6S — CID 135647812

IUPACN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccc(OC)c2O)c1
InChIInChI=1S/C16H18N2O6S/c1-22-12-7-8-13(23-2)15(9-12)25(20,21)18-17-10-11-5-4-6-14(24-3)16(11)19/h4-10,18-19H,1-3H3/b17-10-
InChIKeyCRYDUOFGEHOFET-YVLHZVERSA-N
MW366.40 g/mol
LogP1.73
Rot. Bonds7

About N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (PubChem CID 135647812) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
PubChem CID135647812
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccc(OC)c2O)c1
InChIInChI=1S/C16H18N2O6S/c1-22-12-7-8-13(23-2)15(9-12)25(20,21)18-17-10-11-5-4-6-14(24-3)16(11)19/h4-10,18-19H,1-3H3/b17-10-
InChIKeyCRYDUOFGEHOFET-YVLHZVERSA-N
XLogP1.73
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
2,5-dimethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135873349
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 6170879
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516552

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (CID 135647812) is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccc(OC)c2O)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is CRYDUOFGEHOFET-YVLHZVERSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-22-12-7-8-13(23-2)15(9-12)25(20,21)18-17-10-11-5-4-6-14(24-3)16(11)19/h4-10,18-19H,1-3H3/b17-10-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 366.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 135647812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).