ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate

C10H12FNO4S — CID 172740566

IUPACethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c1-3-16-10(13)12(2)17(14,15)9-6-4-8(11)5-7-9/h4-7H,3H2,1-2H3
InChIKeyJARFNQDHOZMQIO-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.60
Rot. Bonds3

About ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate

ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate (PubChem CID 172740566) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate
PubChem CID172740566
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Nameethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c1-3-16-10(13)12(2)17(14,15)9-6-4-8(11)5-7-9/h4-7H,3H2,1-2H3
InChIKeyJARFNQDHOZMQIO-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate?
The IUPAC name of ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate (CID 172740566) is ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate.
What is the SMILES notation for ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate?
The canonical SMILES for ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate is CCOC(=O)N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate?
The InChIKey is JARFNQDHOZMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-3-16-10(13)12(2)17(14,15)9-6-4-8(11)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate?
ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate has a molecular weight of 261.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluorophenyl)sulfonyl-N-methylcarbamate is sourced from PubChem (CID 172740566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).