N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide

C12H13ClF3N3O3S — CID 177488704

IUPACN-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
SMILESO=S(=O)(/N=C(/Nc1ccc(Cl)cc1)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H13ClF3N3O3S/c13-9-1-3-10(4-2-9)17-11(19-5-7-22-8-6-19)18-23(20,21)12(14,15)16/h1-4H,5-8H2,(H,17,18)
InChIKeyLOSZATXOFJXCCN-UHFFFAOYSA-N
MW371.77 g/mol
LogP2.29
Rot. Bonds2

About N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide

N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide (PubChem CID 177488704) has the molecular formula C12H13ClF3N3O3S and a molecular weight of 371.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
PubChem CID177488704
Molecular FormulaC12H13ClF3N3O3S
Molecular Weight371.77 g/mol
Exact Mass371.03
IUPAC NameN-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
SMILESO=S(=O)(/N=C(/Nc1ccc(Cl)cc1)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H13ClF3N3O3S/c13-9-1-3-10(4-2-9)17-11(19-5-7-22-8-6-19)18-23(20,21)12(14,15)16/h1-4H,5-8H2,(H,17,18)
InChIKeyLOSZATXOFJXCCN-UHFFFAOYSA-N
XLogP2.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
CID 23228475
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
N'-(3-amino-2,2-dimethylpropyl)-N-(3-chloro-4-fluorophenyl)morpholine-4-carboximidamide
CID 134108665
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
CID 110348760
(4-acetamidophenyl) 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonate
CID 21177670
1-chloro-4-isocyanatobenzene;N-(4-chlorophenyl)morpholine-4-carboxamide;morpholine
CID 157402715
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711690
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711692
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide (CID 177488704) is N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide is O=S(=O)(/N=C(/Nc1ccc(Cl)cc1)N1CCOCC1)C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide?
The InChIKey is LOSZATXOFJXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O3S/c13-9-1-3-10(4-2-9)17-11(19-5-7-22-8-6-19)18-23(20,21)12(14,15)16/h1-4H,5-8H2,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide?
N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide has a molecular weight of 371.77 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide is sourced from PubChem (CID 177488704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).