(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone

C22H19FN2O4S — CID 2539896

IUPAC(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C22H19FN2O4S/c23-18-7-3-16(4-8-18)22(26)17-5-9-19(10-6-17)29-21-12-11-20(15-24-21)30(27,28)25-13-1-2-14-25/h3-12,15H,1-2,13-14H2
InChIKeyWVIGKBKOBIPBNC-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.03
Rot. Bonds6

About (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone

(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 2539896) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID2539896
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C22H19FN2O4S/c23-18-7-3-16(4-8-18)22(26)17-5-9-19(10-6-17)29-21-12-11-20(15-24-21)30(27,28)25-13-1-2-14-25/h3-12,15H,1-2,13-14H2
InChIKeyWVIGKBKOBIPBNC-UHFFFAOYSA-N
XLogP4.03
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone with MolForge

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Related Compounds

ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
CID 25342701
2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55714162
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
1-[(1S,5R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]sulfonyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone
CID 175945568
[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
CID 511923
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
CID 24770965
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 75448158
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268219
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone (CID 2539896) is (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is WVIGKBKOBIPBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c23-18-7-3-16(4-8-18)22(26)17-5-9-19(10-6-17)29-21-12-11-20(15-24-21)30(27,28)25-13-1-2-14-25/h3-12,15H,1-2,13-14H2.
What are the key properties of (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone?
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 426.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 2539896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).