2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate

C9H9ClFNO4S — CID 12947201

IUPAC2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)OCCF
InChIInChI=1S/C9H9ClFNO4S/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)16-6-5-11/h1-4H,5-6H2,(H,12,13)
InChIKeyOCURWMBXHAUQMZ-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.72
Rot. Bonds4

About 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate

2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate (PubChem CID 12947201) has the molecular formula C9H9ClFNO4S and a molecular weight of 281.69 g/mol. Its IUPAC name is 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate
PubChem CID12947201
Molecular FormulaC9H9ClFNO4S
Molecular Weight281.69 g/mol
Exact Mass280.99
IUPAC Name2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)OCCF
InChIInChI=1S/C9H9ClFNO4S/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)16-6-5-11/h1-4H,5-6H2,(H,12,13)
InChIKeyOCURWMBXHAUQMZ-UHFFFAOYSA-N
XLogP1.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate?
The IUPAC name of 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate (CID 12947201) is 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate is O=C(NS(=O)(=O)c1ccc(Cl)cc1)OCCF.
What is the InChIKey of 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate?
The InChIKey is OCURWMBXHAUQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO4S/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)16-6-5-11/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate?
2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate has a molecular weight of 281.69 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 12947201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).