2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide

C10H14FNO5S2 — CID 122702354

IUPAC2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide
SMILESCOC(CS(N)(=O)=O)c1ccc(F)cc1S(C)(=O)=O
InChIInChI=1S/C10H14FNO5S2/c1-17-9(6-19(12,15)16)8-4-3-7(11)5-10(8)18(2,13)14/h3-5,9H,6H2,1-2H3,(H2,12,15,16)
InChIKeyBMKAWKOAAMKAJF-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.21
Rot. Bonds5

About 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide

2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide (PubChem CID 122702354) has the molecular formula C10H14FNO5S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide
PubChem CID122702354
Molecular FormulaC10H14FNO5S2
Molecular Weight311.36 g/mol
Exact Mass311.03
IUPAC Name2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide
SMILESCOC(CS(N)(=O)=O)c1ccc(F)cc1S(C)(=O)=O
InChIInChI=1S/C10H14FNO5S2/c1-17-9(6-19(12,15)16)8-4-3-7(11)5-10(8)18(2,13)14/h3-5,9H,6H2,1-2H3,(H2,12,15,16)
InChIKeyBMKAWKOAAMKAJF-UHFFFAOYSA-N
XLogP0.21
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide?
The IUPAC name of 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide (CID 122702354) is 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide is COC(CS(N)(=O)=O)c1ccc(F)cc1S(C)(=O)=O.
What is the InChIKey of 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide?
The InChIKey is BMKAWKOAAMKAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO5S2/c1-17-9(6-19(12,15)16)8-4-3-7(11)5-10(8)18(2,13)14/h3-5,9H,6H2,1-2H3,(H2,12,15,16).
What are the key properties of 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide?
2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylsulfonylphenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 122702354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).