N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide

C18H16FNO4S — CID 1094884

IUPACN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc12
InChIInChI=1S/C18H16FNO4S/c1-10-8-13(19)4-7-17(10)25(22,23)20-14-5-6-16-15(9-14)18(11(2)21)12(3)24-16/h4-9,20H,1-3H3
InChIKeyLAMYSANYICSXHN-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.19
Rot. Bonds4

About N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 1094884) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID1094884
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC NameN-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc12
InChIInChI=1S/C18H16FNO4S/c1-10-8-13(19)4-7-17(10)25(22,23)20-14-5-6-16-15(9-14)18(11(2)21)12(3)24-16/h4-9,20H,1-3H3
InChIKeyLAMYSANYICSXHN-UHFFFAOYSA-N
XLogP4.19
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 1094884) is N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide is CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc12.
What is the InChIKey of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LAMYSANYICSXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-10-8-13(19)4-7-17(10)25(22,23)20-14-5-6-16-15(9-14)18(11(2)21)12(3)24-16/h4-9,20H,1-3H3.
What are the key properties of N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 361.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 1094884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).