4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide

C16H15FN2O5S — CID 71894451

IUPAC4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C16H15FN2O5S/c1-24-14-7-2-10(8-13(14)17)9-15(20)19-25(22,23)12-5-3-11(4-6-12)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyRALROQJTYCWZMH-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.98
Rot. Bonds6

About 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide

4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide (PubChem CID 71894451) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
PubChem CID71894451
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Name4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1F
InChIInChI=1S/C16H15FN2O5S/c1-24-14-7-2-10(8-13(14)17)9-15(20)19-25(22,23)12-5-3-11(4-6-12)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyRALROQJTYCWZMH-UHFFFAOYSA-N
XLogP0.98
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166199698
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
CID 56795776
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954170
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
[1-amino-2-(3-fluoro-4-methoxyphenyl)ethylidene]azanium
CID 6347254
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide (CID 71894451) is 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide is COc1ccc(CC(=O)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1F.
What is the InChIKey of 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide?
The InChIKey is RALROQJTYCWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c1-24-14-7-2-10(8-13(14)17)9-15(20)19-25(22,23)12-5-3-11(4-6-12)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide?
4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide has a molecular weight of 366.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide is sourced from PubChem (CID 71894451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).