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

C21H20FN3O3S — CID 90313371

IUPAC5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H20FN3O3S/c22-19-13-15(5-7-17(19)16-6-8-21(23)24-14-16)18-3-1-2-4-20(18)29(26,27)25-9-11-28-12-10-25/h1-8,13-14H,9-12H2,(H2,23,24)
InChIKeyCZIPCRSAXWCMMZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.16
Rot. Bonds4

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

5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine (PubChem CID 90313371) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine
PubChem CID90313371
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1
InChIInChI=1S/C21H20FN3O3S/c22-19-13-15(5-7-17(19)16-6-8-21(23)24-14-16)18-3-1-2-4-20(18)29(26,27)25-9-11-28-12-10-25/h1-8,13-14H,9-12H2,(H2,23,24)
InChIKeyCZIPCRSAXWCMMZ-UHFFFAOYSA-N
XLogP3.16
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine (CID 90313371) is 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine?
The InChIKey is CZIPCRSAXWCMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c22-19-13-15(5-7-17(19)16-6-8-21(23)24-14-16)18-3-1-2-4-20(18)29(26,27)25-9-11-28-12-10-25/h1-8,13-14H,9-12H2,(H2,23,24).
What are the key properties of 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine?
5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine has a molecular weight of 413.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-morpholin-4-ylsulfonylphenyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 90313371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).