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

C18H25F3N2O4S — CID 90607520

IUPACN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C18H25F3N2O4S/c19-18(20,21)15-2-1-3-17(14-15)28(24,25)23(16-4-10-26-11-5-16)7-6-22-8-12-27-13-9-22/h1-3,14,16H,4-13H2
InChIKeyOCTJNSYCZPAWMT-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.21
Rot. Bonds6

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

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 90607520) has the molecular formula C18H25F3N2O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID90607520
Molecular FormulaC18H25F3N2O4S
Molecular Weight422.47 g/mol
Exact Mass422.15
IUPAC NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C18H25F3N2O4S/c19-18(20,21)15-2-1-3-17(14-15)28(24,25)23(16-4-10-26-11-5-16)7-6-22-8-12-27-13-9-22/h1-3,14,16H,4-13H2
InChIKeyOCTJNSYCZPAWMT-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 90607520) is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1cccc(C(F)(F)F)c1)N(CCN1CCOCC1)C1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OCTJNSYCZPAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O4S/c19-18(20,21)15-2-1-3-17(14-15)28(24,25)23(16-4-10-26-11-5-16)7-6-22-8-12-27-13-9-22/h1-3,14,16H,4-13H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90607520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).