4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide

C15H12FNO4S — CID 1251479

IUPAC4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)ccc1F
InChIInChI=1S/C15H12FNO4S/c1-9-6-12(3-5-14(9)16)22(19,20)17-11-2-4-13-10(7-11)8-21-15(13)18/h2-7,17H,8H2,1H3
InChIKeyXXOFJFVVODJDPN-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.61
Rot. Bonds3

About 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 1251479) has the molecular formula C15H12FNO4S and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID1251479
Molecular FormulaC15H12FNO4S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)ccc1F
InChIInChI=1S/C15H12FNO4S/c1-9-6-12(3-5-14(9)16)22(19,20)17-11-2-4-13-10(7-11)8-21-15(13)18/h2-7,17H,8H2,1H3
InChIKeyXXOFJFVVODJDPN-UHFFFAOYSA-N
XLogP2.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide (CID 1251479) is 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is XXOFJFVVODJDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4S/c1-9-6-12(3-5-14(9)16)22(19,20)17-11-2-4-13-10(7-11)8-21-15(13)18/h2-7,17H,8H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 321.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 1251479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).