ethyl N-(4-fluorophenyl)sulfonylcarbamate

C9H10FNO4S — CID 19693765

IUPACethyl N-(4-fluorophenyl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO4S/c1-2-15-9(12)11-16(13,14)8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyHZCDQFDIHGLSLZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.26
Rot. Bonds3

About ethyl N-(4-fluorophenyl)sulfonylcarbamate

ethyl N-(4-fluorophenyl)sulfonylcarbamate (PubChem CID 19693765) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl N-(4-fluorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-fluorophenyl)sulfonylcarbamate
PubChem CID19693765
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC Nameethyl N-(4-fluorophenyl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO4S/c1-2-15-9(12)11-16(13,14)8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyHZCDQFDIHGLSLZ-UHFFFAOYSA-N
XLogP1.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(Z)-4-[(4-fluorophenyl)sulfonylcarbamoyloxy]but-2-enyl] acetate
CID 102021540
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
CID 25494260
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
methyl N-[(2S)-1-[(4-fluorophenyl)sulfonylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71878003
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
ethyl 3-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]prop-2-enoate
CID 140998101
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 2-[(4-fluorophenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
CID 1247869
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluorophenyl)sulfonylcarbamate?
The IUPAC name of ethyl N-(4-fluorophenyl)sulfonylcarbamate (CID 19693765) is ethyl N-(4-fluorophenyl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-(4-fluorophenyl)sulfonylcarbamate?
The canonical SMILES for ethyl N-(4-fluorophenyl)sulfonylcarbamate is CCOC(=O)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl N-(4-fluorophenyl)sulfonylcarbamate?
The InChIKey is HZCDQFDIHGLSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c1-2-15-9(12)11-16(13,14)8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl N-(4-fluorophenyl)sulfonylcarbamate?
ethyl N-(4-fluorophenyl)sulfonylcarbamate has a molecular weight of 247.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluorophenyl)sulfonylcarbamate is sourced from PubChem (CID 19693765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).