N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide

C14H14FNO4S — CID 31929709

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)o1
InChIInChI=1S/C14H14FNO4S/c1-8-6-11(9(2)20-8)14(17)16-13-7-10(21(3,18)19)4-5-12(13)15/h4-7H,1-3H3,(H,16,17)
InChIKeyOMYFSOHHBBBZJC-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.69
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 31929709) has the molecular formula C14H14FNO4S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID31929709
Molecular FormulaC14H14FNO4S
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)o1
InChIInChI=1S/C14H14FNO4S/c1-8-6-11(9(2)20-8)14(17)16-13-7-10(21(3,18)19)4-5-12(13)15/h4-7H,1-3H3,(H,16,17)
InChIKeyOMYFSOHHBBBZJC-UHFFFAOYSA-N
XLogP2.69
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.69
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)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide (CID 31929709) is N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(C)o1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OMYFSOHHBBBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S/c1-8-6-11(9(2)20-8)14(17)16-13-7-10(21(3,18)19)4-5-12(13)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 2.69, 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)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 31929709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).