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

C16H16FNO6S — CID 2683129

IUPACfuran-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16FNO6S/c17-14-4-3-12(16(19)24-11-13-2-1-7-23-13)10-15(14)25(20,21)18-5-8-22-9-6-18/h1-4,7,10H,5-6,8-9,11H2
InChIKeyMRROBAIHROHVKZ-UHFFFAOYSA-N
MW369.37 g/mol
LogP1.80
Rot. Bonds5

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

furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2683129) has the molecular formula C16H16FNO6S and a molecular weight of 369.37 g/mol. Its IUPAC name is furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID2683129
Molecular FormulaC16H16FNO6S
Molecular Weight369.37 g/mol
Exact Mass369.07
IUPAC Namefuran-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16FNO6S/c17-14-4-3-12(16(19)24-11-13-2-1-7-23-13)10-15(14)25(20,21)18-5-8-22-9-6-18/h1-4,7,10H,5-6,8-9,11H2
InChIKeyMRROBAIHROHVKZ-UHFFFAOYSA-N
XLogP1.80
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate (CID 2683129) is furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is O=C(OCc1ccco1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MRROBAIHROHVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO6S/c17-14-4-3-12(16(19)24-11-13-2-1-7-23-13)10-15(14)25(20,21)18-5-8-22-9-6-18/h1-4,7,10H,5-6,8-9,11H2.
What are the key properties of furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate?
furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 369.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2683129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).