2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide

C22H25FN2O4S — CID 10274434

IUPAC2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide
SMILESCCCCCC#CCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O4S/c1-2-3-4-5-6-7-14-22(21(26)25-27,16-18-9-8-15-24-17-18)30(28,29)20-12-10-19(23)11-13-20/h8-13,15,17,27H,2-5,14,16H2,1H3,(H,25,26)
InChIKeyDPCFSURNKHMIOL-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.46
Rot. Bonds9

About 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide

2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide (PubChem CID 10274434) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide
PubChem CID10274434
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide
SMILESCCCCCC#CCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O4S/c1-2-3-4-5-6-7-14-22(21(26)25-27,16-18-9-8-15-24-17-18)30(28,29)20-12-10-19(23)11-13-20/h8-13,15,17,27H,2-5,14,16H2,1H3,(H,25,26)
InChIKeyDPCFSURNKHMIOL-UHFFFAOYSA-N
XLogP3.46
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide (CID 10274434) is 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide is CCCCCC#CCC(Cc1cccnc1)(C(=O)NO)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide?
The InChIKey is DPCFSURNKHMIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-2-3-4-5-6-7-14-22(21(26)25-27,16-18-9-8-15-24-17-18)30(28,29)20-12-10-19(23)11-13-20/h8-13,15,17,27H,2-5,14,16H2,1H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide?
2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide has a molecular weight of 432.52 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-(pyridin-3-ylmethyl)dec-4-ynamide is sourced from PubChem (CID 10274434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).