N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide

C17H13F2NO3S — CID 2805867

IUPACN-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1
InChIInChI=1S/C17H13F2NO3S/c18-12-6-8-15(16(19)10-12)17-9-7-13(23-17)11-20-24(21,22)14-4-2-1-3-5-14/h1-10,20H,11H2
InChIKeyZNTNJSPNOBWBST-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.70
Rot. Bonds5

About N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide

N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 2805867) has the molecular formula C17H13F2NO3S and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID2805867
Molecular FormulaC17H13F2NO3S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC NameN-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1
InChIInChI=1S/C17H13F2NO3S/c18-12-6-8-15(16(19)10-12)17-9-7-13(23-17)11-20-24(21,22)14-4-2-1-3-5-14/h1-10,20H,11H2
InChIKeyZNTNJSPNOBWBST-UHFFFAOYSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide (CID 2805867) is N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2ccc(F)cc2F)o1)c1ccccc1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is ZNTNJSPNOBWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3S/c18-12-6-8-15(16(19)10-12)17-9-7-13(23-17)11-20-24(21,22)14-4-2-1-3-5-14/h1-10,20H,11H2.
What are the key properties of N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide?
N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 2805867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).