2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide

C13H17FN2O3S2 — CID 56782902

IUPAC2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1F
InChIInChI=1S/C13H17FN2O3S2/c14-12-4-2-1-3-11(12)13(17)15-5-10-21(18,19)16-6-8-20-9-7-16/h1-4H,5-10H2,(H,15,17)
InChIKeyRFYZGJSDVIDRAI-UHFFFAOYSA-N
MW332.42 g/mol
LogP0.93
Rot. Bonds5

About 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide

2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide (PubChem CID 56782902) has the molecular formula C13H17FN2O3S2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
PubChem CID56782902
Molecular FormulaC13H17FN2O3S2
Molecular Weight332.42 g/mol
Exact Mass332.07
IUPAC Name2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1F
InChIInChI=1S/C13H17FN2O3S2/c14-12-4-2-1-3-11(12)13(17)15-5-10-21(18,19)16-6-8-20-9-7-16/h1-4H,5-10H2,(H,15,17)
InChIKeyRFYZGJSDVIDRAI-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833378
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
3-(2-aminophenyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 120610539
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
CID 16809508
2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349918
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-nitrobenzamide
CID 16825838

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide (CID 56782902) is 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide is O=C(NCCS(=O)(=O)N1CCSCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
The InChIKey is RFYZGJSDVIDRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S2/c14-12-4-2-1-3-11(12)13(17)15-5-10-21(18,19)16-6-8-20-9-7-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide?
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide has a molecular weight of 332.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide is sourced from PubChem (CID 56782902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).