2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide

C15H11F2NO3S2 — CID 122264394

IUPAC2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccs2)o1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2NO3S2/c16-10-3-5-12(17)15(8-10)23(19,20)18-9-11-4-6-13(21-11)14-2-1-7-22-14/h1-8,18H,9H2
InChIKeyOTVCEWAZZYOFLA-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.76
Rot. Bonds5

About 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide

2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 122264394) has the molecular formula C15H11F2NO3S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID122264394
Molecular FormulaC15H11F2NO3S2
Molecular Weight355.39 g/mol
Exact Mass355.01
IUPAC Name2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccs2)o1)c1cc(F)ccc1F
InChIInChI=1S/C15H11F2NO3S2/c16-10-3-5-12(17)15(8-10)23(19,20)18-9-11-4-6-13(21-11)14-2-1-7-22-14/h1-8,18H,9H2
InChIKeyOTVCEWAZZYOFLA-UHFFFAOYSA-N
XLogP3.76
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122264443
4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264401
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
2-methoxy-5-[(5-thiophen-2-ylfuran-2-yl)methylsulfamoyl]benzamide
CID 122264461
4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264427
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 119101887
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
CID 146080782
2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide (CID 122264394) is 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2cccs2)o1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is OTVCEWAZZYOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3S2/c16-10-3-5-12(17)15(8-10)23(19,20)18-9-11-4-6-13(21-11)14-2-1-7-22-14/h1-8,18H,9H2.
What are the key properties of 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 355.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122264394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).