5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine

C21H19F3N4O3S — CID 146177536

IUPAC5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H19F3N4O3S/c22-21(23,24)17-12-19(25)26-13-16(17)18-10-15(32(29,30)14-4-2-1-3-5-14)11-20(27-18)28-6-8-31-9-7-28/h1-5,10-13H,6-9H2,(H2,25,26)
InChIKeyQFYPUDAOZZAZDG-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.41
Rot. Bonds4

About 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine

5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 146177536) has the molecular formula C21H19F3N4O3S and a molecular weight of 464.47 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID146177536
Molecular FormulaC21H19F3N4O3S
Molecular Weight464.47 g/mol
Exact Mass464.11
IUPAC Name5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H19F3N4O3S/c22-21(23,24)17-12-19(25)26-13-16(17)18-10-15(32(29,30)14-4-2-1-3-5-14)11-20(27-18)28-6-8-31-9-7-28/h1-5,10-13H,6-9H2,(H2,25,26)
InChIKeyQFYPUDAOZZAZDG-UHFFFAOYSA-N
XLogP3.41
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)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-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine (CID 146177536) is 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QFYPUDAOZZAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3S/c22-21(23,24)17-12-19(25)26-13-16(17)18-10-15(32(29,30)14-4-2-1-3-5-14)11-20(27-18)28-6-8-31-9-7-28/h1-5,10-13H,6-9H2,(H2,25,26).
What are the key properties of 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 464.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146177536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).