N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide

C14H17F5N2O3S — CID 172614995

IUPACN-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide
SMILESCCN([C@H](c1ccc(F)c(F)c1)C(F)(F)F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H17F5N2O3S/c1-2-21(25(22,23)20-5-7-24-8-6-20)13(14(17,18)19)10-3-4-11(15)12(16)9-10/h3-4,9,13H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyVZIGCPQIPJGXEN-CYBMUJFWSA-N
MW388.36 g/mol
LogP2.47
Rot. Bonds5

About N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide

N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide (PubChem CID 172614995) has the molecular formula C14H17F5N2O3S and a molecular weight of 388.36 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide
PubChem CID172614995
Molecular FormulaC14H17F5N2O3S
Molecular Weight388.36 g/mol
Exact Mass388.09
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide
SMILESCCN([C@H](c1ccc(F)c(F)c1)C(F)(F)F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H17F5N2O3S/c1-2-21(25(22,23)20-5-7-24-8-6-20)13(14(17,18)19)10-3-4-11(15)12(16)9-10/h3-4,9,13H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyVZIGCPQIPJGXEN-CYBMUJFWSA-N
XLogP2.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-methylmorpholine-4-sulfonamide
CID 172614986
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-ethylmorpholine-4-sulfonamide
CID 172615015
N-ethyl-5-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 168898646
N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 168898566
N-benzyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110706002
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethyl]-N-ethyl-1-methyl-6-oxopyridazine-4-sulfonamide
CID 172614722
1-(3,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051908
3-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzoic acid
CID 56865955
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-ethylpyrimidine-5-sulfonamide
CID 168898423
N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
CID 43574633

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide (CID 172614995) is N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide is CCN([C@H](c1ccc(F)c(F)c1)C(F)(F)F)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide?
The InChIKey is VZIGCPQIPJGXEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17F5N2O3S/c1-2-21(25(22,23)20-5-7-24-8-6-20)13(14(17,18)19)10-3-4-11(15)12(16)9-10/h3-4,9,13H,2,5-8H2,1H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide?
N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide has a molecular weight of 388.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-N-ethylmorpholine-4-sulfonamide is sourced from PubChem (CID 172614995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).