4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

C22H22FN3O4S — CID 55847190

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C22H22FN3O4S/c1-15(2)30-21-12-3-16(13-24-21)14-25-22(27)17-4-8-19(9-5-17)26-31(28,29)20-10-6-18(23)7-11-20/h3-13,15,26H,14H2,1-2H3,(H,25,27)
InChIKeyZJZXAAKVSIOPLG-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.74
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide

4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (PubChem CID 55847190) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
PubChem CID55847190
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C22H22FN3O4S/c1-15(2)30-21-12-3-16(13-24-21)14-25-22(27)17-4-8-19(9-5-17)26-31(28,29)20-10-6-18(23)7-11-20/h3-13,15,26H,14H2,1-2H3,(H,25,27)
InChIKeyZJZXAAKVSIOPLG-UHFFFAOYSA-N
XLogP3.74
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55868918
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749212
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111233350
5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55747377

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide (CID 55847190) is 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is CC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
The InChIKey is ZJZXAAKVSIOPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-15(2)30-21-12-3-16(13-24-21)14-25-22(27)17-4-8-19(9-5-17)26-31(28,29)20-10-6-18(23)7-11-20/h3-13,15,26H,14H2,1-2H3,(H,25,27).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55847190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).