5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine

C21H20FN3O2S — CID 90312624

IUPAC5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C21H20FN3O2S/c22-19-13-15(7-9-17(19)16-8-10-21(23)24-14-16)18-5-1-2-6-20(18)28(26,27)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12H2,(H2,23,24)
InChIKeyMCKJOJPTYUZASK-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.92
Rot. Bonds4

About 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine

5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine (PubChem CID 90312624) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
PubChem CID90312624
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C21H20FN3O2S/c22-19-13-15(7-9-17(19)16-8-10-21(23)24-14-16)18-5-1-2-6-20(18)28(26,27)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12H2,(H2,23,24)
InChIKeyMCKJOJPTYUZASK-UHFFFAOYSA-N
XLogP3.92
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine (CID 90312624) is 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine?
The InChIKey is MCKJOJPTYUZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-19-13-15(7-9-17(19)16-8-10-21(23)24-14-16)18-5-1-2-6-20(18)28(26,27)25-11-3-4-12-25/h1-2,5-10,13-14H,3-4,11-12H2,(H2,23,24).
What are the key properties of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine?
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine has a molecular weight of 397.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 90312624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).