4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide

C15H14FNO4S — CID 18756158

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C15H14FNO4S/c1-21-15-7-4-11(9-13(15)16)14(18)8-10-2-5-12(6-3-10)22(17,19)20/h2-7,9H,8H2,1H3,(H2,17,19,20)
InChIKeyTVKPYCZZVUBVFS-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.91
Rot. Bonds5

About 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide

4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 18756158) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID18756158
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C15H14FNO4S/c1-21-15-7-4-11(9-13(15)16)14(18)8-10-2-5-12(6-3-10)22(17,19)20/h2-7,9H,8H2,1H3,(H2,17,19,20)
InChIKeyTVKPYCZZVUBVFS-UHFFFAOYSA-N
XLogP1.91
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide (CID 18756158) is 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide is COc1ccc(C(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is TVKPYCZZVUBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-15-7-4-11(9-13(15)16)14(18)8-10-2-5-12(6-3-10)22(17,19)20/h2-7,9H,8H2,1H3,(H2,17,19,20).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 323.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 18756158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).