4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide

C11H12F2N2O3S2 — CID 79674677

IUPAC4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C11H12F2N2O3S2/c12-7-1-2-10(8(13)5-7)20(16,17)15-3-4-18-9(6-15)11(14)19/h1-2,5,9H,3-4,6H2,(H2,14,19)
InChIKeySFZSTKLHIFDKSO-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.64
Rot. Bonds3

About 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide

4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide (PubChem CID 79674677) has the molecular formula C11H12F2N2O3S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
PubChem CID79674677
Molecular FormulaC11H12F2N2O3S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Name4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)c2ccc(F)cc2F)CCO1
InChIInChI=1S/C11H12F2N2O3S2/c12-7-1-2-10(8(13)5-7)20(16,17)15-3-4-18-9(6-15)11(14)19/h1-2,5,9H,3-4,6H2,(H2,14,19)
InChIKeySFZSTKLHIFDKSO-UHFFFAOYSA-N
XLogP0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonyl)morpholine-2-carbothioamide
CID 79674762
4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79675206
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057
1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038290
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
CID 79675027
4-(dimethylsulfamoyl)morpholine-2-carbothioamide
CID 79674162
4-(2,4-difluorophenyl)sulfonyl-N-methylpiperazine-1-carbothioamide
CID 9096997

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide?
The IUPAC name of 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide (CID 79674677) is 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide is NC(=S)C1CN(S(=O)(=O)c2ccc(F)cc2F)CCO1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide?
The InChIKey is SFZSTKLHIFDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S2/c12-7-1-2-10(8(13)5-7)20(16,17)15-3-4-18-9(6-15)11(14)19/h1-2,5,9H,3-4,6H2,(H2,14,19).
What are the key properties of 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide?
4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide has a molecular weight of 322.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide is sourced from PubChem (CID 79674677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).