4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide

C21H16FN3O5S — CID 90467765

IUPAC4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(C#N)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16FN3O5S/c1-29-20-10-14(22)6-8-18(20)30-19-9-13(12-23)5-7-17(19)21(26)25-15-3-2-4-16(11-15)31(24,27)28/h2-11H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyGSMKEJZRDUDMTK-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.40
Rot. Bonds6

About 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide

4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 90467765) has the molecular formula C21H16FN3O5S and a molecular weight of 441.44 g/mol. Its IUPAC name is 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
PubChem CID90467765
Molecular FormulaC21H16FN3O5S
Molecular Weight441.44 g/mol
Exact Mass441.08
IUPAC Name4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(C#N)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C21H16FN3O5S/c1-29-20-10-14(22)6-8-18(20)30-19-9-13(12-23)5-7-17(19)21(26)25-15-3-2-4-16(11-15)31(24,27)28/h2-11H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyGSMKEJZRDUDMTK-UHFFFAOYSA-N
XLogP3.40
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
3-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199380
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)propanamide
CID 8978446
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467489
2-(4-chloro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)-N-(3-sulfamoylphenyl)benzamide
CID 90466907
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197861
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
3-(4-cyano-2-methoxyphenoxy)-6-(4-cyanophenyl)-5-methyl-N-(3-methylsulfonylphenyl)pyridazine-4-carboxamide
CID 175490294
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466612

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide (CID 90467765) is 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide is COc1cc(F)ccc1Oc1cc(C#N)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is GSMKEJZRDUDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O5S/c1-29-20-10-14(22)6-8-18(20)30-19-9-13(12-23)5-7-17(19)21(26)25-15-3-2-4-16(11-15)31(24,27)28/h2-11H,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 441.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 90467765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).