ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate

C14H14O5S — CID 35726189

IUPACethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCCOC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O5S/c1-2-18-14(15)13-11(8-9-19-13)10-20(16,17)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyNFPVZUORQFZYGJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.43
Rot. Bonds5

About ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate

ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 35726189) has the molecular formula C14H14O5S and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID35726189
Molecular FormulaC14H14O5S
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Nameethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCCOC(=O)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O5S/c1-2-18-14(15)13-11(8-9-19-13)10-20(16,17)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyNFPVZUORQFZYGJ-UHFFFAOYSA-N
XLogP2.43
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467064
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466660
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467166
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46664518
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46426168
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 30908299
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 30908293
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466411
methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
CID 30804496
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466832

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 35726189) is ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate is CCOC(=O)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is NFPVZUORQFZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5S/c1-2-18-14(15)13-11(8-9-19-13)10-20(16,17)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate?
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 35726189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).