2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide

C17H21NO5S — CID 110425621

IUPAC2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO5S/c1-21-11-12-22-13-14-24(19,20)18-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyXGLTUMFWNYBMOG-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.88
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide

2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide (PubChem CID 110425621) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
PubChem CID110425621
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO5S/c1-21-11-12-22-13-14-24(19,20)18-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyXGLTUMFWNYBMOG-UHFFFAOYSA-N
XLogP2.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.88
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

N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110612793
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 110423362
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide
CID 139820857
2-(2-methoxyethoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethanesulfonamide
CID 110609685
2-[4-(3-methoxypropylsulfonylamino)phenoxy]acetic acid
CID 63772703
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
CID 79001403
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide (CID 110425621) is 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide?
The InChIKey is XGLTUMFWNYBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-21-11-12-22-13-14-24(19,20)18-15-7-9-17(10-8-15)23-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide?
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110425621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).