ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate

C10H12FNO4S — CID 10730111

IUPACethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate
SMILESCCOC(=O)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C10H12FNO4S/c1-3-16-10(13)12(17(2,14)15)9-7-5-4-6-8(9)11/h4-7H,3H2,1-2H3
InChIKeyAPHFGWAPZFFJKP-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.75
Rot. Bonds3

About ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate

ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate (PubChem CID 10730111) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate
PubChem CID10730111
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Nameethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate
SMILESCCOC(=O)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C10H12FNO4S/c1-3-16-10(13)12(17(2,14)15)9-7-5-4-6-8(9)11/h4-7H,3H2,1-2H3
InChIKeyAPHFGWAPZFFJKP-UHFFFAOYSA-N
XLogP1.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate?
The IUPAC name of ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate (CID 10730111) is ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate.
What is the SMILES notation for ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate?
The canonical SMILES for ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate is CCOC(=O)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate?
The InChIKey is APHFGWAPZFFJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-3-16-10(13)12(17(2,14)15)9-7-5-4-6-8(9)11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate?
ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate has a molecular weight of 261.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate is sourced from PubChem (CID 10730111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).