3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide

C22H22ClN3O5S — CID 22505373

IUPAC3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
SMILESCOc1ccc(-c2cc(CCC(=O)N(C)O)cnc2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C22H22ClN3O5S/c1-26(28)21(27)10-7-14-11-17(15-8-9-19(31-2)18(23)12-15)22(25-13-14)16-5-3-4-6-20(16)32(24,29)30/h3-6,8-9,11-13,28H,7,10H2,1-2H3,(H2,24,29,30)
InChIKeyAORCWWIJMPTFEK-UHFFFAOYSA-N
MW475.95 g/mol
LogP3.51
Rot. Bonds7

About 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide

3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide (PubChem CID 22505373) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
PubChem CID22505373
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC Name3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide
SMILESCOc1ccc(-c2cc(CCC(=O)N(C)O)cnc2-c2ccccc2S(N)(=O)=O)cc1Cl
InChIInChI=1S/C22H22ClN3O5S/c1-26(28)21(27)10-7-14-11-17(15-8-9-19(31-2)18(23)12-15)22(25-13-14)16-5-3-4-6-20(16)32(24,29)30/h3-6,8-9,11-13,28H,7,10H2,1-2H3,(H2,24,29,30)
InChIKeyAORCWWIJMPTFEK-UHFFFAOYSA-N
XLogP3.51
TPSA122.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide (CID 22505373) is 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide is COc1ccc(-c2cc(CCC(=O)N(C)O)cnc2-c2ccccc2S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide?
The InChIKey is AORCWWIJMPTFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-26(28)21(27)10-7-14-11-17(15-8-9-19(31-2)18(23)12-15)22(25-13-14)16-5-3-4-6-20(16)32(24,29)30/h3-6,8-9,11-13,28H,7,10H2,1-2H3,(H2,24,29,30).
What are the key properties of 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide?
3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide has a molecular weight of 475.95 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-4-methoxyphenyl)-6-(2-sulfamoylphenyl)-3-pyridinyl]-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 22505373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).