N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide

C18H20F3NO4S — CID 56765490

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3NO4S/c1-26-16-8-2-13(3-9-16)10-11-27(24,25)22-12-17(23)14-4-6-15(7-5-14)18(19,20)21/h2-9,17,22-23H,10-12H2,1H3
InChIKeyVGKCNEGNBFJZOD-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.91
Rot. Bonds8

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 56765490) has the molecular formula C18H20F3NO4S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID56765490
Molecular FormulaC18H20F3NO4S
Molecular Weight403.42 g/mol
Exact Mass403.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3NO4S/c1-26-16-8-2-13(3-9-16)10-11-27(24,25)22-12-17(23)14-4-6-15(7-5-14)18(19,20)21/h2-9,17,22-23H,10-12H2,1H3
InChIKeyVGKCNEGNBFJZOD-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 56765490) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is VGKCNEGNBFJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4S/c1-26-16-8-2-13(3-9-16)10-11-27(24,25)22-12-17(23)14-4-6-15(7-5-14)18(19,20)21/h2-9,17,22-23H,10-12H2,1H3.
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 403.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 56765490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).