ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate

C18H20N2O5S — CID 25342701

IUPACethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-24-18(21)14-5-7-15(8-6-14)25-17-10-9-16(13-19-17)26(22,23)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3
InChIKeyXROIKTWZGDBMJC-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.84
Rot. Bonds6

About ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate

ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate (PubChem CID 25342701) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
PubChem CID25342701
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-24-18(21)14-5-7-15(8-6-14)25-17-10-9-16(13-19-17)26(22,23)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3
InChIKeyXROIKTWZGDBMJC-UHFFFAOYSA-N
XLogP2.84
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
propyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 154024928
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 2405279
[2-(4-methoxyphenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2346671
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
1-(4-ethoxyphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 38969543
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate (CID 25342701) is ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate is CCOC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate?
The InChIKey is XROIKTWZGDBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-24-18(21)14-5-7-15(8-6-14)25-17-10-9-16(13-19-17)26(22,23)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate?
ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 25342701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).