3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide

C10H12FNO3S — CID 70968674

IUPAC3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H12FNO3S/c1-6(2)10(13)8-4-3-7(5-9(8)11)16(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyINWONRIYDXLYAL-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.31
Rot. Bonds3

About 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide

3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 70968674) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
PubChem CID70968674
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H12FNO3S/c1-6(2)10(13)8-4-3-7(5-9(8)11)16(12,14)15/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyINWONRIYDXLYAL-UHFFFAOYSA-N
XLogP1.31
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
CID 115883708
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547
2-fluoro-N-pent-1-yn-3-yl-4-sulfamoylbenzamide
CID 103579485
2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
CID 22953700
2-fluoro-N-[(1-methylcyclopropyl)methyl]-4-sulfamoylbenzamide
CID 113346358
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
3-(2-fluoro-4-sulfamoylphenyl)sulfanylbutanoic acid
CID 66115046
2-fluoro-4-sulfamoylbenzenesulfonic acid
CID 174894500
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
3-fluoro-4-(3-propylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 115883710
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide (CID 70968674) is 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide is CC(C)C(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is INWONRIYDXLYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-6(2)10(13)8-4-3-7(5-9(8)11)16(12,14)15/h3-6H,1-2H3,(H2,12,14,15).
What are the key properties of 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide?
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 70968674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).