5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C11H13BrF3N3O3S — CID 90101332

IUPAC5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C11H13BrF3N3O3S/c12-9-5-8(22(19,20)17-7-11(13,14)15)6-16-10(9)18-1-3-21-4-2-18/h5-6,17H,1-4,7H2
InChIKeyIUOGOTZGOFKHBH-UHFFFAOYSA-N
MW404.21 g/mol
LogP1.52
Rot. Bonds4

About 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 90101332) has the molecular formula C11H13BrF3N3O3S and a molecular weight of 404.21 g/mol. Its IUPAC name is 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID90101332
Molecular FormulaC11H13BrF3N3O3S
Molecular Weight404.21 g/mol
Exact Mass402.98
IUPAC Name5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C11H13BrF3N3O3S/c12-9-5-8(22(19,20)17-7-11(13,14)15)6-16-10(9)18-1-3-21-4-2-18/h5-6,17H,1-4,7H2
InChIKeyIUOGOTZGOFKHBH-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 90101332) is 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(NCC(F)(F)F)c1cnc(N2CCOCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is IUOGOTZGOFKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O3S/c12-9-5-8(22(19,20)17-7-11(13,14)15)6-16-10(9)18-1-3-21-4-2-18/h5-6,17H,1-4,7H2.
What are the key properties of 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 404.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 90101332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).