5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide

C14H14FNO3S — CID 2234557

IUPAC5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-6-12(7-4-10)16-20(17,18)14-9-11(15)5-8-13(14)19-2/h3-9,16H,1-2H3
InChIKeyVHDNIJJGWWLOIF-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2234557) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2234557
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-6-12(7-4-10)16-20(17,18)14-9-11(15)5-8-13(14)19-2/h3-9,16H,1-2H3
InChIKeyVHDNIJJGWWLOIF-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide (CID 2234557) is 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is VHDNIJJGWWLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-3-6-12(7-4-10)16-20(17,18)14-9-11(15)5-8-13(14)19-2/h3-9,16H,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2234557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).