ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate

C16H17Cl2NO5S — CID 58393063

IUPACethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN(CC)S(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO5S/c1-3-19(9-12-8-11(10-24-12)16(20)23-4-2)25(21,22)15-13(17)6-5-7-14(15)18/h5-8,10H,3-4,9H2,1-2H3
InChIKeyHKSXQXMKSWJYGG-UHFFFAOYSA-N
MW406.29 g/mol
LogP3.97
Rot. Bonds7

About ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate

ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate (PubChem CID 58393063) has the molecular formula C16H17Cl2NO5S and a molecular weight of 406.29 g/mol. Its IUPAC name is ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate
PubChem CID58393063
Molecular FormulaC16H17Cl2NO5S
Molecular Weight406.29 g/mol
Exact Mass405.02
IUPAC Nameethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1coc(CN(CC)S(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO5S/c1-3-19(9-12-8-11(10-24-12)16(20)23-4-2)25(21,22)15-13(17)6-5-7-14(15)18/h5-8,10H,3-4,9H2,1-2H3
InChIKeyHKSXQXMKSWJYGG-UHFFFAOYSA-N
XLogP3.97
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate
CID 58393424
5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 67329793
ethyl 3-chloro-2-chlorosulfonylbenzoate
CID 18434594
ethyl 5-aminofuran-3-carboxylate
CID 22218303
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 1281132
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546066
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
ethyl 4-[[(2,6-dichlorophenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate
CID 46371274
ethyl 2-chloro-1-oxidopyridin-1-ium-4-carboxylate
CID 134122594
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate (CID 58393063) is ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate is CCOC(=O)c1coc(CN(CC)S(=O)(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate?
The InChIKey is HKSXQXMKSWJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO5S/c1-3-19(9-12-8-11(10-24-12)16(20)23-4-2)25(21,22)15-13(17)6-5-7-14(15)18/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate?
ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate has a molecular weight of 406.29 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 58393063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).