4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide

C11H13FN2O3S2 — CID 75443822

IUPAC4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O3S2/c12-8-3-1-2-4-10(8)19(16,17)14-5-6-18-7-9(14)11(13)15/h1-4,9H,5-7H2,(H2,13,15)
InChIKeyPTDOYEUOMVGEDT-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.42
Rot. Bonds3

About 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide

4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide (PubChem CID 75443822) has the molecular formula C11H13FN2O3S2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide
PubChem CID75443822
Molecular FormulaC11H13FN2O3S2
Molecular Weight304.37 g/mol
Exact Mass304.04
IUPAC Name4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O3S2/c12-8-3-1-2-4-10(8)19(16,17)14-5-6-18-7-9(14)11(13)15/h1-4,9H,5-7H2,(H2,13,15)
InChIKeyPTDOYEUOMVGEDT-UHFFFAOYSA-N
XLogP0.42
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 56999526
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125
(3R)-4-(2,4-difluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 71419679
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980358
ethyl (3S)-4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine-3-carboxylate
CID 52509437
4-(2-cyanophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980391
4-(2,3-dichlorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980477
2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)sulfonylaniline
CID 66381991
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
(2S)-1-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide
CID 8690165

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide (CID 75443822) is 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide is NC(=O)C1CSCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide?
The InChIKey is PTDOYEUOMVGEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S2/c12-8-3-1-2-4-10(8)19(16,17)14-5-6-18-7-9(14)11(13)15/h1-4,9H,5-7H2,(H2,13,15).
What are the key properties of 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide?
4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonylthiomorpholine-3-carboxamide is sourced from PubChem (CID 75443822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).