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

C14H16FNO4S — CID 56765583

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1F
InChIInChI=1S/C14H16FNO4S/c1-9-6-11(10(2)20-9)8-16-21(17,18)12-4-5-14(19-3)13(15)7-12/h4-7,16H,8H2,1-3H3
InChIKeyNUWBYDKAIHIDQJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.52
Rot. Bonds5

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

N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 56765583) has the molecular formula C14H16FNO4S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID56765583
Molecular FormulaC14H16FNO4S
Molecular Weight313.35 g/mol
Exact Mass313.08
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1F
InChIInChI=1S/C14H16FNO4S/c1-9-6-11(10(2)20-9)8-16-21(17,18)12-4-5-14(19-3)13(15)7-12/h4-7,16H,8H2,1-3H3
InChIKeyNUWBYDKAIHIDQJ-UHFFFAOYSA-N
XLogP2.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 56765583) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1F.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is NUWBYDKAIHIDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S/c1-9-6-11(10(2)20-9)8-16-21(17,18)12-4-5-14(19-3)13(15)7-12/h4-7,16H,8H2,1-3H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.52, 5 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)methyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 56765583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).