N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

C19H21F4N3O3S — CID 168898623

IUPACN-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C19H21F4N3O3S/c1-2-26(18(19(21,22)23)14-3-5-15(20)6-4-14)30(27,28)17-11-16(12-24-13-17)25-7-9-29-10-8-25/h3-6,11-13,18H,2,7-10H2,1H3
InChIKeyKNBSXFAOQKZYLY-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 168898623) has the molecular formula C19H21F4N3O3S and a molecular weight of 447.45 g/mol. Its IUPAC name is N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID168898623
Molecular FormulaC19H21F4N3O3S
Molecular Weight447.45 g/mol
Exact Mass447.12
IUPAC NameN-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C19H21F4N3O3S/c1-2-26(18(19(21,22)23)14-3-5-15(20)6-4-14)30(27,28)17-11-16(12-24-13-17)25-7-9-29-10-8-25/h3-6,11-13,18H,2,7-10H2,1H3
InChIKeyKNBSXFAOQKZYLY-UHFFFAOYSA-N
XLogP3.37
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 168898623) is N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is CCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is KNBSXFAOQKZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N3O3S/c1-2-26(18(19(21,22)23)14-3-5-15(20)6-4-14)30(27,28)17-11-16(12-24-13-17)25-7-9-29-10-8-25/h3-6,11-13,18H,2,7-10H2,1H3.
What are the key properties of N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 447.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-morpholin-4-yl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 168898623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).