N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C20H23F3N2O3S — CID 24815624

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCN1CCOC(C1)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-2-25-10-11-28-19(13-25)16-6-8-18(9-7-16)24-29(26,27)14-15-4-3-5-17(12-15)20(21,22)23/h3-9,12,19,24H,2,10-11,13-14H2,1H3
InChIKeyZVSLURXCFVHSST-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.10
Rot. Bonds6

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 24815624) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID24815624
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.50 g/mol
Exact Mass428.14
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCN1CCOC(C1)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C20H23F3N2O3S/c1-2-25-10-11-28-19(13-25)16-6-8-18(9-7-16)24-29(26,27)14-15-4-3-5-17(12-15)20(21,22)23/h3-9,12,19,24H,2,10-11,13-14H2,1H3
InChIKeyZVSLURXCFVHSST-UHFFFAOYSA-N
XLogP3.10
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity615

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-{4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenyl}-methanesulfonamide
CID 10184219
2-(methylamino)-N-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)ethanesulfonamide
CID 46881540
3-amino-N-methyl-N-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)propane-1-sulfonamide
CID 46881541
N-(3-(4-propylmorpholin-2-yl)phenyl)methanesulfonamide
CID 44443916
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
CID 71693580
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-propan-2-ylmorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 71693362
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 71693642
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethylamino]propane-1-sulfonamide
CID 11989095
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 11989096
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(methylamino)propane-1-sulfonamide
CID 11989097
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-aminopropane-1-sulfonamide
CID 11989098

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 24815624) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is CCN1CCOC(C1)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)C(F)(F)F.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ZVSLURXCFVHSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-2-25-10-11-28-19(13-25)16-6-8-18(9-7-16)24-29(26,27)14-15-4-3-5-17(12-15)20(21,22)23/h3-9,12,19,24H,2,10-11,13-14H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 428.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 24815624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).