5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine

C21H19FN2O3S — CID 2738253

IUPAC5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-17-10-8-16(9-11-17)20-7-4-14-24(20)28(25,26)19-12-13-21(23-15-19)27-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14H2
InChIKeyYUBRYHDRYPLAKW-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.54
Rot. Bonds5

About 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine

5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine (PubChem CID 2738253) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine
PubChem CID2738253
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-17-10-8-16(9-11-17)20-7-4-14-24(20)28(25,26)19-12-13-21(23-15-19)27-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14H2
InChIKeyYUBRYHDRYPLAKW-UHFFFAOYSA-N
XLogP4.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine?
The IUPAC name of 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine (CID 2738253) is 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine?
The canonical SMILES for 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine is O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine?
The InChIKey is YUBRYHDRYPLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-17-10-8-16(9-11-17)20-7-4-14-24(20)28(25,26)19-12-13-21(23-15-19)27-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14H2.
What are the key properties of 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine?
5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine has a molecular weight of 398.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine is sourced from PubChem (CID 2738253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).