N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide

C15H18F3NO3S — CID 91939249

IUPACN-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)12-19(14-6-9-22-10-7-14)23(20,21)11-8-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeySLZZMBFCWMXXQK-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.03
Rot. Bonds5

About N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide

N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide (PubChem CID 91939249) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
PubChem CID91939249
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC NameN-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)12-19(14-6-9-22-10-7-14)23(20,21)11-8-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeySLZZMBFCWMXXQK-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide
CID 90607235
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 55702806
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide
CID 76994786
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide
CID 46604966
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
CID 27665668
N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90554748

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The IUPAC name of N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide (CID 91939249) is N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide is O=S(=O)(C=Cc1ccccc1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The InChIKey is SLZZMBFCWMXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)12-19(14-6-9-22-10-7-14)23(20,21)11-8-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2.
What are the key properties of N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide is sourced from PubChem (CID 91939249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).