2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide

C12H15F3N2O2S2 — CID 61124839

IUPAC2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=S
InChIInChI=1S/C12H15F3N2O2S2/c1-2-5-9(11(16)20)17-21(18,19)10-7-4-3-6-8(10)12(13,14)15/h3-4,6-7,9,17H,2,5H2,1H3,(H2,16,20)
InChIKeyIGXRIXHMJFQOEO-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.44
Rot. Bonds6

About 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide

2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide (PubChem CID 61124839) has the molecular formula C12H15F3N2O2S2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
PubChem CID61124839
Molecular FormulaC12H15F3N2O2S2
Molecular Weight340.39 g/mol
Exact Mass340.05
IUPAC Name2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=S
InChIInChI=1S/C12H15F3N2O2S2/c1-2-5-9(11(16)20)17-21(18,19)10-7-4-3-6-8(10)12(13,14)15/h3-4,6-7,9,17H,2,5H2,1H3,(H2,16,20)
InChIKeyIGXRIXHMJFQOEO-UHFFFAOYSA-N
XLogP2.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 62652720
2-methyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62668032
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
CID 116527541
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-(5-bromopentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 114294910
(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828701

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide (CID 61124839) is 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide is CCCC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(N)=S.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide?
The InChIKey is IGXRIXHMJFQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S2/c1-2-5-9(11(16)20)17-21(18,19)10-7-4-3-6-8(10)12(13,14)15/h3-4,6-7,9,17H,2,5H2,1H3,(H2,16,20).
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide?
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide has a molecular weight of 340.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide is sourced from PubChem (CID 61124839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).