N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide

C19H21F3N2O3S — CID 8844992

IUPACN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)16-7-4-8-17(13-16)28(25,26)23-18(15-5-2-1-3-6-15)14-24-9-11-27-12-10-24/h1-8,13,18,23H,9-12,14H2/t18-/m1/s1
InChIKeyNRDRTCXVQWTPPH-GOSISDBHSA-N
MW414.45 g/mol
LogP3.06
Rot. Bonds6

About N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 8844992) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID8844992
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)16-7-4-8-17(13-16)28(25,26)23-18(15-5-2-1-3-6-15)14-24-9-11-27-12-10-24/h1-8,13,18,23H,9-12,14H2/t18-/m1/s1
InChIKeyNRDRTCXVQWTPPH-GOSISDBHSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844981
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845093
2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845190
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
(3R)-3-phenyl-N-[(1R)-6-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 59792105
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 8844992) is N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NRDRTCXVQWTPPH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c20-19(21,22)16-7-4-8-17(13-16)28(25,26)23-18(15-5-2-1-3-6-15)14-24-9-11-27-12-10-24/h1-8,13,18,23H,9-12,14H2/t18-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8844992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).