N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide

C13H16F4N2O3S — CID 172615033

IUPACN-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@@H](CF)c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H16F4N2O3S/c14-9-12(10-1-3-11(4-2-10)13(15,16)17)18-23(20,21)19-5-7-22-8-6-19/h1-4,12,18H,5-9H2/t12-/m0/s1
InChIKeyCNNQWMCDQQKRBE-LBPRGKRZSA-N
MW356.34 g/mol
LogP1.88
Rot. Bonds5

About N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide

N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide (PubChem CID 172615033) has the molecular formula C13H16F4N2O3S and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
PubChem CID172615033
Molecular FormulaC13H16F4N2O3S
Molecular Weight356.34 g/mol
Exact Mass356.08
IUPAC NameN-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@@H](CF)c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H16F4N2O3S/c14-9-12(10-1-3-11(4-2-10)13(15,16)17)18-23(20,21)19-5-7-22-8-6-19/h1-4,12,18H,5-9H2/t12-/m0/s1
InChIKeyCNNQWMCDQQKRBE-LBPRGKRZSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid
CID 75405739
N-(1-thiophen-2-ylpropyl)morpholine-4-sulfonamide
CID 47306222
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]morpholine-4-sulfonamide
CID 51335598
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]morpholine-4-sulfonamide
CID 156666646
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828522
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-(1-thiophen-2-ylethyl)morpholine-4-sulfonamide
CID 47141625

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide (CID 172615033) is N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide is O=S(=O)(N[C@@H](CF)c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
The InChIKey is CNNQWMCDQQKRBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16F4N2O3S/c14-9-12(10-1-3-11(4-2-10)13(15,16)17)18-23(20,21)19-5-7-22-8-6-19/h1-4,12,18H,5-9H2/t12-/m0/s1.
What are the key properties of N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide?
N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide has a molecular weight of 356.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 172615033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).