2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide

C20H21NO5S — CID 35395703

IUPAC2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H21NO5S/c1-24-17-9-10-19(25-2)20(14-17)27(22,23)21-11-12-26-18-8-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyGBVDYDCYDHEAPW-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.21
Rot. Bonds8

About 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide

2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide (PubChem CID 35395703) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
PubChem CID35395703
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H21NO5S/c1-24-17-9-10-19(25-2)20(14-17)27(22,23)21-11-12-26-18-8-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,21H,11-12H2,1-2H3
InChIKeyGBVDYDCYDHEAPW-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.21
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-phenoxyethyl)benzenesulfonamide
CID 26943488
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
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
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
N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
CID 26543227
2-methoxy-4,5-dimethyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102226
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide (CID 35395703) is 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
The InChIKey is GBVDYDCYDHEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-24-17-9-10-19(25-2)20(14-17)27(22,23)21-11-12-26-18-8-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,21H,11-12H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide?
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.21, 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-naphthalen-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 35395703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).