3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide

C10H12F2N2O2S2 — CID 62665959

IUPAC3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
SMILESCC(CNS(=O)(=O)c1ccc(F)cc1F)C(N)=S
InChIInChI=1S/C10H12F2N2O2S2/c1-6(10(13)17)5-14-18(15,16)9-3-2-7(11)4-8(9)12/h2-4,6,14H,5H2,1H3,(H2,13,17)
InChIKeyONHIKMABNNUDDI-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.17
Rot. Bonds5

About 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide

3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide (PubChem CID 62665959) has the molecular formula C10H12F2N2O2S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
PubChem CID62665959
Molecular FormulaC10H12F2N2O2S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Name3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
SMILESCC(CNS(=O)(=O)c1ccc(F)cc1F)C(N)=S
InChIInChI=1S/C10H12F2N2O2S2/c1-6(10(13)17)5-14-18(15,16)9-3-2-7(11)4-8(9)12/h2-4,6,14H,5H2,1H3,(H2,13,17)
InChIKeyONHIKMABNNUDDI-UHFFFAOYSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
2-methyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62668032
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62667476
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide?
The IUPAC name of 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide (CID 62665959) is 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide is CC(CNS(=O)(=O)c1ccc(F)cc1F)C(N)=S.
What is the InChIKey of 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide?
The InChIKey is ONHIKMABNNUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S2/c1-6(10(13)17)5-14-18(15,16)9-3-2-7(11)4-8(9)12/h2-4,6,14H,5H2,1H3,(H2,13,17).
What are the key properties of 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide?
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide has a molecular weight of 294.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide is sourced from PubChem (CID 62665959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).