fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate

C10H12FNO4S — CID 174467521

IUPACfluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate
SMILESCN(Cc1ccccc1C(=O)OF)S(C)(=O)=O
InChIInChI=1S/C10H12FNO4S/c1-12(17(2,14)15)7-8-5-3-4-6-9(8)10(13)16-11/h3-6H,7H2,1-2H3
InChIKeyBSZSLJNKJUTGJY-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.12
Rot. Bonds4

About fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate

fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate (PubChem CID 174467521) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namefluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate
PubChem CID174467521
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Namefluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate
SMILESCN(Cc1ccccc1C(=O)OF)S(C)(=O)=O
InChIInChI=1S/C10H12FNO4S/c1-12(17(2,14)15)7-8-5-3-4-6-9(8)10(13)16-11/h3-6H,7H2,1-2H3
InChIKeyBSZSLJNKJUTGJY-UHFFFAOYSA-N
XLogP1.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate?
The IUPAC name of fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate (CID 174467521) is fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate.
What is the SMILES notation for fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate?
The canonical SMILES for fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate is CN(Cc1ccccc1C(=O)OF)S(C)(=O)=O.
What is the InChIKey of fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate?
The InChIKey is BSZSLJNKJUTGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-12(17(2,14)15)7-8-5-3-4-6-9(8)10(13)16-11/h3-6H,7H2,1-2H3.
What are the key properties of fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate?
fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate has a molecular weight of 261.27 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[[methyl(methylsulfonyl)amino]methyl]benzoate is sourced from PubChem (CID 174467521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).