ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate

C11H12FNO5S — CID 75466349

IUPACethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO5S/c1-2-18-11(15)13-10(14)7-19(16,17)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyVGIVUVFWQCCLNA-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.87
Rot. Bonds4

About ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate

ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate (PubChem CID 75466349) has the molecular formula C11H12FNO5S and a molecular weight of 289.28 g/mol. Its IUPAC name is ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate
PubChem CID75466349
Molecular FormulaC11H12FNO5S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Nameethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate
SMILESCCOC(=O)NC(=O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO5S/c1-2-18-11(15)13-10(14)7-19(16,17)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKeyVGIVUVFWQCCLNA-UHFFFAOYSA-N
XLogP0.87
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47218676
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CID 64642533
ethyl 2-(2-methylphenyl)sulfonylacetate
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methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
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ethyl N-(3-phenylpropanoyl)carbamate
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N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
CID 99842975
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
CID 81190318
1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
CID 75527706
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
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ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate?
The IUPAC name of ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate (CID 75466349) is ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate is CCOC(=O)NC(=O)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate?
The InChIKey is VGIVUVFWQCCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5S/c1-2-18-11(15)13-10(14)7-19(16,17)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H,13,14,15).
What are the key properties of ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate?
ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate has a molecular weight of 289.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-fluorophenyl)sulfonylacetyl]carbamate is sourced from PubChem (CID 75466349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).