2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C10H13F3N4O2S — CID 114813203

IUPAC2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H13F3N4O2S/c11-10(12,13)6-16-20(18,19)17-8(9(14)15)7-4-2-1-3-5-7/h1-5,8,16-17H,6H2,(H3,14,15)
InChIKeyVMMOZYONPHRKFX-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.65
Rot. Bonds6

About 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 114813203) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID114813203
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H13F3N4O2S/c11-10(12,13)6-16-20(18,19)17-8(9(14)15)7-4-2-1-3-5-7/h1-5,8,16-17H,6H2,(H3,14,15)
InChIKeyVMMOZYONPHRKFX-UHFFFAOYSA-N
XLogP0.65
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.65
H-Bond Donors ≤ 54
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

2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808176
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
CID 103862444
2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114805476
2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804202
2,2-diphenylethanimidamide;dihydrochloride
CID 172782287
3,3,3-trifluoro-2-(phenylsulfanylmethyl)propanimidamide
CID 103371378
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 104977827
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619
4-(methanesulfonamido)-3-phenylbutanimidamide
CID 154705595
N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 139189977
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 114813203) is 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is VMMOZYONPHRKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c11-10(12,13)6-16-20(18,19)17-8(9(14)15)7-4-2-1-3-5-7/h1-5,8,16-17H,6H2,(H3,14,15).
What are the key properties of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 310.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).