2-phenoxyethanesulfonamide

C8H11NO3S — CID 54595861

IUPAC2-phenoxyethanesulfonamide
SMILESNS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C8H11NO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)
InChIKeyVJYBGWMDZPWAHD-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.35
Rot. Bonds4

About 2-phenoxyethanesulfonamide

2-phenoxyethanesulfonamide (PubChem CID 54595861) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-phenoxyethanesulfonamide.

Molecular Properties

Compound Name2-phenoxyethanesulfonamide
PubChem CID54595861
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-phenoxyethanesulfonamide
SMILESNS(=O)(=O)CCOc1ccccc1
InChIInChI=1S/C8H11NO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)
InChIKeyVJYBGWMDZPWAHD-UHFFFAOYSA-N
XLogP0.35
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxypropane-1-sulfonyl chloride
CID 62937989
2-methyl-1-(2-phenoxyethylsulfonyl)propan-2-amine
CID 81188680
2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
CID 81202614
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
10-phenoxydecane-1-sulfonic acid
CID 58984193
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
2-phenoxyethylmercury
CID 163598363
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
(E)-1-N',1-N'-dimethyl-2-(2-phenoxyethylsulfonyl)ethene-1,1-diamine
CID 70609812
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethanesulfonamide?
The IUPAC name of 2-phenoxyethanesulfonamide (CID 54595861) is 2-phenoxyethanesulfonamide.
What is the SMILES notation for 2-phenoxyethanesulfonamide?
The canonical SMILES for 2-phenoxyethanesulfonamide is NS(=O)(=O)CCOc1ccccc1.
What is the InChIKey of 2-phenoxyethanesulfonamide?
The InChIKey is VJYBGWMDZPWAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11).
What are the key properties of 2-phenoxyethanesulfonamide?
2-phenoxyethanesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethanesulfonamide is sourced from PubChem (CID 54595861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).