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

C15H14FNO4S — CID 57150178

IUPAC3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)Cc2cccc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C15H14FNO4S/c1-21-15-6-5-11(9-13(15)16)14(18)8-10-3-2-4-12(7-10)22(17,19)20/h2-7,9H,8H2,1H3,(H2,17,19,20)
InChIKeyRQZGUDDCPJJHQY-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.91
Rot. Bonds5

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

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 57150178) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID57150178
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)Cc2cccc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C15H14FNO4S/c1-21-15-6-5-11(9-13(15)16)14(18)8-10-3-2-4-12(7-10)22(17,19)20/h2-7,9H,8H2,1H3,(H2,17,19,20)
InChIKeyRQZGUDDCPJJHQY-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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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide (CID 57150178) is 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide is COc1ccc(C(=O)Cc2cccc(S(N)(=O)=O)c2)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is RQZGUDDCPJJHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-15-6-5-11(9-13(15)16)14(18)8-10-3-2-4-12(7-10)22(17,19)20/h2-7,9H,8H2,1H3,(H2,17,19,20).
What are the key properties of 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide?
3-[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 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 57150178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).