2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide

C10H12F3N3O2S2 — CID 114808176

IUPAC2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12F3N3O2S2/c11-10(12,13)6-15-20(17,18)16-8(9(14)19)7-4-2-1-3-5-7/h1-5,8,15-16H,6H2,(H2,14,19)
InChIKeyRSBPSUYRDLCFJL-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.00
Rot. Bonds6

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

2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide (PubChem CID 114808176) has the molecular formula C10H12F3N3O2S2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
PubChem CID114808176
Molecular FormulaC10H12F3N3O2S2
Molecular Weight327.35 g/mol
Exact Mass327.03
IUPAC Name2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H12F3N3O2S2/c11-10(12,13)6-15-20(17,18)16-8(9(14)19)7-4-2-1-3-5-7/h1-5,8,15-16H,6H2,(H2,14,19)
InChIKeyRSBPSUYRDLCFJL-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 114813203
2-(ethylsulfonylamino)-2-phenylethanethioamide
CID 61121905
2-(2-methoxyethylsulfonylamino)-2-phenylethanethioamide
CID 55014069
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
2-[4-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanethioamide
CID 114808277
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
CID 103862444
2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808182
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
2-[(3-bromophenyl)sulfonylamino]-2-phenylethanethioamide
CID 61124489
2-[(3-methylphenyl)sulfonylamino]-2-phenylethanethioamide
CID 61123888
2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114805476

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide (CID 114808176) is 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide is NC(=S)C(NS(=O)(=O)NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The InChIKey is RSBPSUYRDLCFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S2/c11-10(12,13)6-15-20(17,18)16-8(9(14)19)7-4-2-1-3-5-7/h1-5,8,15-16H,6H2,(H2,14,19).
What are the key properties of 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide has a molecular weight of 327.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).