N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide

C19H21F3N2O4S — CID 112846390

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC1CN(c2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)CC(C)O1
InChIInChI=1S/C19H21F3N2O4S/c1-13-11-24(12-14(2)27-13)16-8-4-3-7-15(16)23-29(25,26)18-10-6-5-9-17(18)28-19(20,21)22/h3-10,13-14,23H,11-12H2,1-2H3
InChIKeyJEWNVYCKTWVLPO-UHFFFAOYSA-N
MW430.45 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 112846390) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID112846390
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC1CN(c2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)CC(C)O1
InChIInChI=1S/C19H21F3N2O4S/c1-13-11-24(12-14(2)27-13)16-8-4-3-7-15(16)23-29(25,26)18-10-6-5-9-17(18)28-19(20,21)22/h3-10,13-14,23H,11-12H2,1-2H3
InChIKeyJEWNVYCKTWVLPO-UHFFFAOYSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 112846390) is N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide is CC1CN(c2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JEWNVYCKTWVLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-13-11-24(12-14(2)27-13)16-8-4-3-7-15(16)23-29(25,26)18-10-6-5-9-17(18)28-19(20,21)22/h3-10,13-14,23H,11-12H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 430.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 112846390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).