furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate

C16H17NO6S — CID 1043465

IUPACfuran-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17NO6S/c18-16(23-12-14-4-2-8-22-14)13-3-1-5-15(11-13)24(19,20)17-6-9-21-10-7-17/h1-5,8,11H,6-7,9-10,12H2
InChIKeyYGLDVKOHMAKTKU-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.66
Rot. Bonds5

About furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate

furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 1043465) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
PubChem CID1043465
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Namefuran-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H17NO6S/c18-16(23-12-14-4-2-8-22-14)13-3-1-5-15(11-13)24(19,20)17-6-9-21-10-7-17/h1-5,8,11H,6-7,9-10,12H2
InChIKeyYGLDVKOHMAKTKU-UHFFFAOYSA-N
XLogP1.66
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2683146
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 42978879
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(carbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521625
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367
[2-(3-fluorophenyl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 8666849
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2160971
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate (CID 1043465) is furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate is O=C(OCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is YGLDVKOHMAKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c18-16(23-12-14-4-2-8-22-14)13-3-1-5-15(11-13)24(19,20)17-6-9-21-10-7-17/h1-5,8,11H,6-7,9-10,12H2.
What are the key properties of furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate?
furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 351.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 1043465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).