N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide

C13H12FNO4S — CID 33189106

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H12FNO4S/c1-8-10(5-6-19-8)13(16)15-12-7-9(20(2,17)18)3-4-11(12)14/h3-7H,1-2H3,(H,15,16)
InChIKeyPFKOHNNDTGZVQN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.38
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide (PubChem CID 33189106) has the molecular formula C13H12FNO4S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide
PubChem CID33189106
Molecular FormulaC13H12FNO4S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H12FNO4S/c1-8-10(5-6-19-8)13(16)15-12-7-9(20(2,17)18)3-4-11(12)14/h3-7H,1-2H3,(H,15,16)
InChIKeyPFKOHNNDTGZVQN-UHFFFAOYSA-N
XLogP2.38
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide (CID 33189106) is N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is PFKOHNNDTGZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S/c1-8-10(5-6-19-8)13(16)15-12-7-9(20(2,17)18)3-4-11(12)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 33189106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).