4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

C16H15N3O4S — CID 24979086

IUPAC4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C16H15N3O4S/c17-11-13-1-3-14(4-2-13)23-16-6-5-15(12-18-16)24(20,21)19-7-9-22-10-8-19/h1-6,12H,7-10H2
InChIKeyFHPQTVALUVFIMC-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.77
Rot. Bonds4

About 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 24979086) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
PubChem CID24979086
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C16H15N3O4S/c17-11-13-1-3-14(4-2-13)23-16-6-5-15(12-18-16)24(20,21)19-7-9-22-10-8-19/h1-6,12H,7-10H2
InChIKeyFHPQTVALUVFIMC-UHFFFAOYSA-N
XLogP1.77
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 18199953
1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone
CID 4849455
4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3712210
(4-cyanophenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 7913061
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
2-(4-bromophenoxy)-5-morpholin-4-ylsulfonylbenzonitrile
CID 171989527
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
CID 9332211

Frequently Asked Questions

What is the IUPAC name of 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (CID 24979086) is 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is FHPQTVALUVFIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c17-11-13-1-3-14(4-2-13)23-16-6-5-15(12-18-16)24(20,21)19-7-9-22-10-8-19/h1-6,12H,7-10H2.
What are the key properties of 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 345.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 24979086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).