N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide

C10H13FN2O5S2 — CID 104520210

IUPACN-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C10H13FN2O5S2/c1-6(19(2,15)16)10(14)13-7-3-4-9(8(11)5-7)20(12,17)18/h3-6H,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyZMLTWWAVPZHYLU-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.16
Rot. Bonds4

About N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide

N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide (PubChem CID 104520210) has the molecular formula C10H13FN2O5S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
PubChem CID104520210
Molecular FormulaC10H13FN2O5S2
Molecular Weight324.36 g/mol
Exact Mass324.02
IUPAC NameN-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C10H13FN2O5S2/c1-6(19(2,15)16)10(14)13-7-3-4-9(8(11)5-7)20(12,17)18/h3-6H,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyZMLTWWAVPZHYLU-UHFFFAOYSA-N
XLogP-0.16
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
CID 51947115
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
CID 70210987
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfonylpropanamide
CID 51080513
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 104517127
methyl 3-(2-methylsulfonylpropanoylamino)benzoate
CID 113223100
N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
CID 106753258
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
CID 103208721
2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
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2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide (CID 104520210) is N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is ZMLTWWAVPZHYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S2/c1-6(19(2,15)16)10(14)13-7-3-4-9(8(11)5-7)20(12,17)18/h3-6H,1-2H3,(H,13,14)(H2,12,17,18).
What are the key properties of N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide has a molecular weight of 324.36 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104520210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).