furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate

C16H17NO5S — CID 2683146

IUPACfuran-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H17NO5S/c18-16(22-12-14-4-3-11-21-14)13-5-7-15(8-6-13)23(19,20)17-9-1-2-10-17/h3-8,11H,1-2,9-10,12H2
InChIKeyORUOCJTYSAZYHN-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.42
Rot. Bonds5

About furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate

furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 2683146) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID2683146
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namefuran-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H17NO5S/c18-16(22-12-14-4-3-11-21-14)13-5-7-15(8-6-13)23(19,20)17-9-1-2-10-17/h3-8,11H,1-2,9-10,12H2
InChIKeyORUOCJTYSAZYHN-UHFFFAOYSA-N
XLogP2.42
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-ylmethyl 3-morpholin-4-ylsulfonylbenzoate
CID 1043465
(2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 7767619
N-[3-(furan-2-yl)propoxy]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 110315752
(2-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557893
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
(4-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557835
(4-methylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2556899
(4-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557889
propyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 154024928
naphthalen-1-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate
CID 4044191
(4,6-diamino-1,3,5-triazin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 55390076
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate (CID 2683146) is furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate is O=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is ORUOCJTYSAZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c18-16(22-12-14-4-3-11-21-14)13-5-7-15(8-6-13)23(19,20)17-9-1-2-10-17/h3-8,11H,1-2,9-10,12H2.
What are the key properties of furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate?
furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 335.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2683146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).