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

C10H13FN2O5S2 — CID 104520209

IUPACN-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1F)S(C)(=O)=O
InChIInChI=1S/C10H13FN2O5S2/c1-6(19(2,15)16)10(14)13-9-4-3-7(5-8(9)11)20(12,17)18/h3-6H,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyMDBOVHQZJIDESE-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.16
Rot. Bonds4

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

N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide (PubChem CID 104520209) has the molecular formula C10H13FN2O5S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
PubChem CID104520209
Molecular FormulaC10H13FN2O5S2
Molecular Weight324.36 g/mol
Exact Mass324.02
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1F)S(C)(=O)=O
InChIInChI=1S/C10H13FN2O5S2/c1-6(19(2,15)16)10(14)13-9-4-3-7(5-8(9)11)20(12,17)18/h3-6H,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyMDBOVHQZJIDESE-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

N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
N-(2-fluoro-4-sulfamoylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61130531
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520210
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide (CID 104520209) is N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is MDBOVHQZJIDESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S2/c1-6(19(2,15)16)10(14)13-9-4-3-7(5-8(9)11)20(12,17)18/h3-6H,1-2H3,(H,13,14)(H2,12,17,18).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide?
N-(2-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-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104520209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).