N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide

C9H11FN2O3S2 — CID 61129990

IUPACN-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C9H11FN2O3S2/c1-16-5-9(13)12-8-4-6(17(11,14)15)2-3-7(8)10/h2-4H,5H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyDEGIHKDKDICVGS-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.77
Rot. Bonds4

About N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide

N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide (PubChem CID 61129990) has the molecular formula C9H11FN2O3S2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
PubChem CID61129990
Molecular FormulaC9H11FN2O3S2
Molecular Weight278.33 g/mol
Exact Mass278.02
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C9H11FN2O3S2/c1-16-5-9(13)12-8-4-6(17(11,14)15)2-3-7(8)10/h2-4H,5H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyDEGIHKDKDICVGS-UHFFFAOYSA-N
XLogP0.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876358
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2-fluoro-5-sulfamoylphenyl)-2-methylbenzamide
CID 61129789
N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide
CID 130562660
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide (CID 61129990) is N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide?
The InChIKey is DEGIHKDKDICVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3S2/c1-16-5-9(13)12-8-4-6(17(11,14)15)2-3-7(8)10/h2-4H,5H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide?
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide has a molecular weight of 278.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 61129990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).