N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide

C13H14FNO3S — CID 90536163

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H14FNO3S/c1-9-7-11(10(2)18-9)8-15-19(16,17)13-5-3-12(14)4-6-13/h3-7,15H,8H2,1-2H3
InChIKeyYZJBIJWFVAUYRB-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.51
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 90536163) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID90536163
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H14FNO3S/c1-9-7-11(10(2)18-9)8-15-19(16,17)13-5-3-12(14)4-6-13/h3-7,15H,8H2,1-2H3
InChIKeyYZJBIJWFVAUYRB-UHFFFAOYSA-N
XLogP2.51
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 641766
4-chloro-N-((2,5-dimethylfuran-3-yl)methyl)benzenesulfonamide
CID 90536178
4-bromo-N-((2,5-dimethylfuran-3-yl)methyl)benzenesulfonamide
CID 90536216
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 141518732
2-fluoro-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 697876
3,4-Difluoro-N-(2-furylmethyl)benzenesulfonamide
CID 2404276
2,4-difluoro-N-(2-furylmethyl)benzenesulfonamide
CID 3496190
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanesulfonamide
CID 17741065
N-(1-(furan-2-yl)propan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 49676485
N-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)-2-fluorobenzenesulfonamide
CID 49684167
N-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 49684236
N-((1-((2,5-dimethylfuran-3-yl)methyl)piperidin-4-yl)methyl)-3-(trifluoromethyl)benzenesulfonamide
CID 49684240

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide (CID 90536163) is N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is YZJBIJWFVAUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-9-7-11(10(2)18-9)8-15-19(16,17)13-5-3-12(14)4-6-13/h3-7,15H,8H2,1-2H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 90536163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).