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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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).