4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C19H19F3N2O4S — CID 41247466

IUPAC4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCO1
InChIInChI=1S/C19H19F3N2O4S/c1-13-12-24(9-10-28-13)18(25)14-5-7-17(8-6-14)29(26,27)23-16-4-2-3-15(11-16)19(20,21)22/h2-8,11,13,23H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyINFHDXROQQLLCP-CYBMUJFWSA-N
MW428.43 g/mol
LogP3.37
Rot. Bonds4

About 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 41247466) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID41247466
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCO1
InChIInChI=1S/C19H19F3N2O4S/c1-13-12-24(9-10-28-13)18(25)14-5-7-17(8-6-14)29(26,27)23-16-4-2-3-15(11-16)19(20,21)22/h2-8,11,13,23H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyINFHDXROQQLLCP-CYBMUJFWSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(dimethylamino)piperidine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55644519
4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 46674523
4-(4-hydroxypiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 134014786
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
N-(2-methoxyphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46687768
N-cyclohexyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 51573171
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 94864424
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 94864423
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 41247466) is 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCO1.
What is the InChIKey of 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is INFHDXROQQLLCP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-13-12-24(9-10-28-13)18(25)14-5-7-17(8-6-14)29(26,27)23-16-4-2-3-15(11-16)19(20,21)22/h2-8,11,13,23H,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 428.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41247466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).