2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide

C16H19NO5S — CID 26943488

IUPAC2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C16H19NO5S/c1-20-14-8-9-15(21-2)16(12-14)23(18,19)17-10-11-22-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyQMUXLTOVVPXIFP-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.06
Rot. Bonds8

About 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide

2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 26943488) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID26943488
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C16H19NO5S/c1-20-14-8-9-15(21-2)16(12-14)23(18,19)17-10-11-22-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyQMUXLTOVVPXIFP-UHFFFAOYSA-N
XLogP2.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 30366359
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide (CID 26943488) is 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is QMUXLTOVVPXIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-20-14-8-9-15(21-2)16(12-14)23(18,19)17-10-11-22-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide?
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 26943488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).