N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide

C13H12FNO4S — CID 86782476

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2ccccc2F)c(C)o1
InChIInChI=1S/C13H12FNO4S/c1-8-7-12(9(2)19-8)20(17,18)15-13(16)10-5-3-4-6-11(10)14/h3-7H,1-2H3,(H,15,16)
InChIKeyIIUFCKPNIODKMA-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.15
Rot. Bonds3

About N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide (PubChem CID 86782476) has the molecular formula C13H12FNO4S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
PubChem CID86782476
Molecular FormulaC13H12FNO4S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2ccccc2F)c(C)o1
InChIInChI=1S/C13H12FNO4S/c1-8-7-12(9(2)19-8)20(17,18)15-13(16)10-5-3-4-6-11(10)14/h3-7H,1-2H3,(H,15,16)
InChIKeyIIUFCKPNIODKMA-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylfuran-3-yl)sulfonyl-2,5-difluorobenzamide
CID 75472165
2-(3,4-difluorophenyl)-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
CID 75472163
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylbutanamide
CID 75497652
1-(2,5-dimethylfuran-3-yl)-3-(2-fluorophenyl)-2-methylpropane-1,3-dione
CID 115994532
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 166201074
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide (CID 86782476) is N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide is Cc1cc(S(=O)(=O)NC(=O)c2ccccc2F)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide?
The InChIKey is IIUFCKPNIODKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S/c1-8-7-12(9(2)19-8)20(17,18)15-13(16)10-5-3-4-6-11(10)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide has a molecular weight of 297.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide is sourced from PubChem (CID 86782476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).