N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O3S — CID 697907

IUPACN-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)11-2-1-3-12(10-11)22(19,20)17-4-5-18-6-8-21-9-7-18/h1-3,10,17H,4-9H2
InChIKeyXKNCFCHRZQHZOY-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.32
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 697907) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID697907
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)11-2-1-3-12(10-11)22(19,20)17-4-5-18-6-8-21-9-7-18/h1-3,10,17H,4-9H2
InChIKeyXKNCFCHRZQHZOY-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 697907) is N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XKNCFCHRZQHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c14-13(15,16)11-2-1-3-12(10-11)22(19,20)17-4-5-18-6-8-21-9-7-18/h1-3,10,17H,4-9H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 338.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 697907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).