ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate

C15H15Cl2NO5S — CID 58392959

IUPACethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO5S/c1-3-22-15(19)10-6-12(23-9-10)8-18(2)24(20,21)14-5-4-11(16)7-13(14)17/h4-7,9H,3,8H2,1-2H3
InChIKeyUHHCLLDSVQIJRW-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.58
Rot. Bonds6

About ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate

ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate (PubChem CID 58392959) has the molecular formula C15H15Cl2NO5S and a molecular weight of 392.26 g/mol. Its IUPAC name is ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate
PubChem CID58392959
Molecular FormulaC15H15Cl2NO5S
Molecular Weight392.26 g/mol
Exact Mass391.00
IUPAC Nameethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO5S/c1-3-22-15(19)10-6-12(23-9-10)8-18(2)24(20,21)14-5-4-11(16)7-13(14)17/h4-7,9H,3,8H2,1-2H3
InChIKeyUHHCLLDSVQIJRW-UHFFFAOYSA-N
XLogP3.58
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate (CID 58392959) is ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate is CCOC(=O)c1coc(CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate?
The InChIKey is UHHCLLDSVQIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO5S/c1-3-22-15(19)10-6-12(23-9-10)8-18(2)24(20,21)14-5-4-11(16)7-13(14)17/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate?
ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate has a molecular weight of 392.26 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2,4-dichlorophenyl)sulfonyl-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 58392959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).