4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide

C22H22FN3O4S — CID 22505630

IUPAC4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide
SMILESCN(O)C(=O)CCCc1cnc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C22H22FN3O4S/c1-26(28)21(27)8-4-5-15-13-19(18-6-2-3-7-20(18)31(24,29)30)22(25-14-15)16-9-11-17(23)12-10-16/h2-3,6-7,9-14,28H,4-5,8H2,1H3,(H2,24,29,30)
InChIKeyGZQYBPRKQRRSOO-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.37
Rot. Bonds7

About 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide

4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide (PubChem CID 22505630) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide
PubChem CID22505630
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide
SMILESCN(O)C(=O)CCCc1cnc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C22H22FN3O4S/c1-26(28)21(27)8-4-5-15-13-19(18-6-2-3-7-20(18)31(24,29)30)22(25-14-15)16-9-11-17(23)12-10-16/h2-3,6-7,9-14,28H,4-5,8H2,1H3,(H2,24,29,30)
InChIKeyGZQYBPRKQRRSOO-UHFFFAOYSA-N
XLogP3.37
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(6-phenylpyridin-3-yl)butanamide
CID 51355299
N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(5-phenylpyridin-2-yl)butanamide
CID 51355300
N-hydroxy-4-[[pyridin-2-ylmethyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155155599
3-[4-(phenethylsulfamoyl)phenyl]-N-(2-pyridylmethyl)propanamide
CID 1297951
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 9117534
(3R)-3-[[(2R)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]-2-oxo-4-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 169795184
2-[(1S,4S,5S)-4-[[(4-fluorophenyl)sulfonylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 38029094
(2S)-4-(3-fluorophenyl)-2-methyl-N-pyridin-3-ylsulfonylbutanamide
CID 96281740
N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]-4-[[(2-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 9873463
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 10075163
(2R)-6-amino-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxyhexanamide
CID 10150704
(2S)-3-[4-(aminomethyl)cyclohexyl]-2-[[6-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-N-hydroxypropanamide
CID 10151554

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide?
The IUPAC name of 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide (CID 22505630) is 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide?
The canonical SMILES for 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide is CN(O)C(=O)CCCc1cnc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide?
The InChIKey is GZQYBPRKQRRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-26(28)21(27)8-4-5-15-13-19(18-6-2-3-7-20(18)31(24,29)30)22(25-14-15)16-9-11-17(23)12-10-16/h2-3,6-7,9-14,28H,4-5,8H2,1H3,(H2,24,29,30).
What are the key properties of 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide?
4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide has a molecular weight of 443.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-5-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylbutanamide is sourced from PubChem (CID 22505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).