3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride

C19H15FN2O5S — CID 166404746

IUPAC3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C19H15FN2O5S/c20-28(24,25)17-8-3-5-14(11-17)22-18(23)13-26-15-6-4-7-16(12-15)27-19-9-1-2-10-21-19/h1-12H,13H2,(H,22,23)
InChIKeySGVDTVLYPHCJPZ-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.55
Rot. Bonds7

About 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride

3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride (PubChem CID 166404746) has the molecular formula C19H15FN2O5S and a molecular weight of 402.40 g/mol. Its IUPAC name is 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride
PubChem CID166404746
Molecular FormulaC19H15FN2O5S
Molecular Weight402.40 g/mol
Exact Mass402.07
IUPAC Name3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C19H15FN2O5S/c20-28(24,25)17-8-3-5-14(11-17)22-18(23)13-26-15-6-4-7-16(12-15)27-19-9-1-2-10-21-19/h1-12H,13H2,(H,22,23)
InChIKeySGVDTVLYPHCJPZ-UHFFFAOYSA-N
XLogP3.55
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
N-(cyclohexylmethyl)-2-(3-pyridin-2-yloxyphenoxy)acetamide
CID 25345413
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
2-(3-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 26896390
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
N-(3-methylphenyl)-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]benzamide
CID 30805523
N-[3-(methanesulfonamido)phenyl]-3-pyridin-2-yloxybenzamide
CID 72719348

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride?
The IUPAC name of 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride (CID 166404746) is 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride?
The canonical SMILES for 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride is O=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride?
The InChIKey is SGVDTVLYPHCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5S/c20-28(24,25)17-8-3-5-14(11-17)22-18(23)13-26-15-6-4-7-16(12-15)27-19-9-1-2-10-21-19/h1-12H,13H2,(H,22,23).
What are the key properties of 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride?
3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride has a molecular weight of 402.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-pyridin-2-yloxyphenoxy)acetyl]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 166404746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).