2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide

C15H14FN3O3S — CID 146080782

IUPAC2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
SMILESCn1nccc1-c1ccc(CNS(=O)(=O)c2ccccc2F)o1
InChIInChI=1S/C15H14FN3O3S/c1-19-13(8-9-17-19)14-7-6-11(22-14)10-18-23(20,21)15-5-3-2-4-12(15)16/h2-9,18H,10H2,1H3
InChIKeyXZOVJANFFNPHCK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.30
Rot. Bonds5

About 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide

2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 146080782) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID146080782
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
SMILESCn1nccc1-c1ccc(CNS(=O)(=O)c2ccccc2F)o1
InChIInChI=1S/C15H14FN3O3S/c1-19-13(8-9-17-19)14-7-6-11(22-14)10-18-23(20,21)15-5-3-2-4-12(15)16/h2-9,18H,10H2,1H3
InChIKeyXZOVJANFFNPHCK-UHFFFAOYSA-N
XLogP2.30
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide (CID 146080782) is 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide is Cn1nccc1-c1ccc(CNS(=O)(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is XZOVJANFFNPHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-19-13(8-9-17-19)14-7-6-11(22-14)10-18-23(20,21)15-5-3-2-4-12(15)16/h2-9,18H,10H2,1H3.
What are the key properties of 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide?
2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 146080782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).