N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide

C15H19F3N2O4S — CID 110345641

IUPACN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4S/c1-11-10-24-8-7-20(11)25(22,23)9-6-19-14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)
InChIKeyCAEBMQLREPDKGQ-UHFFFAOYSA-N
MW380.39 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110345641) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
PubChem CID110345641
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4S/c1-11-10-24-8-7-20(11)25(22,23)9-6-19-14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)
InChIKeyCAEBMQLREPDKGQ-UHFFFAOYSA-N
XLogP1.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
CID 110345613
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
CID 110345658

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide (CID 110345641) is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide is CC1COCCN1S(=O)(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CAEBMQLREPDKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-11-10-24-8-7-20(11)25(22,23)9-6-19-14(21)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide?
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 380.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110345641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).