4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

C14H17F3N2O4S — CID 51294950

IUPAC4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H17F3N2O4S/c1-10-8-19(6-7-23-10)24(21,22)12-4-2-11(3-5-12)13(20)18-9-14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyUGILCLKMYOCBEN-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.39
Rot. Bonds4

About 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide

4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51294950) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51294950
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H17F3N2O4S/c1-10-8-19(6-7-23-10)24(21,22)12-4-2-11(3-5-12)13(20)18-9-14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyUGILCLKMYOCBEN-UHFFFAOYSA-N
XLogP1.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51960164
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
4-[3-(azepan-1-yl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 86900559
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119984592
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119970062

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide (CID 51294950) is 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UGILCLKMYOCBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-10-8-19(6-7-23-10)24(21,22)12-4-2-11(3-5-12)13(20)18-9-14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20).
What are the key properties of 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide?
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 366.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51294950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).