2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide

C16H18N2O4S — CID 110516616

IUPAC2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccccc2C)c1
InChIInChI=1S/C16H18N2O4S/c1-12-6-4-5-7-13(12)11-17-18-23(19,20)16-10-14(21-2)8-9-15(16)22-3/h4-11,18H,1-3H3/b17-11+
InChIKeyHALVFMWMARTZRB-GZTJUZNOSA-N
MW334.40 g/mol
LogP2.32
Rot. Bonds6

About 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide

2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110516616) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID110516616
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccccc2C)c1
InChIInChI=1S/C16H18N2O4S/c1-12-6-4-5-7-13(12)11-17-18-23(19,20)16-10-14(21-2)8-9-15(16)22-3/h4-11,18H,1-3H3/b17-11+
InChIKeyHALVFMWMARTZRB-GZTJUZNOSA-N
XLogP2.32
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.32
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-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110517043
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516552
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
2,5-dimethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135873349
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517257
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 6170879

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide (CID 110516616) is 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccccc2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is HALVFMWMARTZRB-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-6-4-5-7-13(12)11-17-18-23(19,20)16-10-14(21-2)8-9-15(16)22-3/h4-11,18H,1-3H3/b17-11+.
What are the key properties of 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide?
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).