1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

C26H26FN3O4S — CID 10255233

IUPAC1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(-c4ccccc4F)cn3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C26H26FN3O4S/c27-23-4-2-1-3-22(23)19-7-12-24(28-17-19)18-5-10-21(11-6-18)35(33,34)26(25(31)29-32)13-15-30(16-14-26)20-8-9-20/h1-7,10-12,17,20,32H,8-9,13-16H2,(H,29,31)
InChIKeyVYNNAEWUOBPWQF-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.83
Rot. Bonds6

About 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide

1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 10255233) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID10255233
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Name1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(-c4ccccc4F)cn3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C26H26FN3O4S/c27-23-4-2-1-3-22(23)19-7-12-24(28-17-19)18-5-10-21(11-6-18)35(33,34)26(25(31)29-32)13-15-30(16-14-26)20-8-9-20/h1-7,10-12,17,20,32H,8-9,13-16H2,(H,29,31)
InChIKeyVYNNAEWUOBPWQF-UHFFFAOYSA-N
XLogP3.83
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.83
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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Related Compounds

US10508104, Example 428
CID 138697706
US10508104, Example 213
CID 138697764
US10508104, Example 425
CID 138698141
US10508104, Example 206
CID 138698313
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 132454867
2-(4-Fluoro-benzenesulfonyl)-2-pyridin-3-ylmethyl-hex-4-ynoic acid hydroxyamide
CID 9969758
N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10007916
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
CID 10008575
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10098643
1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10098988
2-(4-Fluoro-benzenesulfonyl)-2-pyridin-3-ylmethyl-dec-4-ynoic acid hydroxyamide
CID 10274434
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10368990

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 10255233) is 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(-c4ccccc4F)cn3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is VYNNAEWUOBPWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c27-23-4-2-1-3-22(23)19-7-12-24(28-17-19)18-5-10-21(11-6-18)35(33,34)26(25(31)29-32)13-15-30(16-14-26)20-8-9-20/h1-7,10-12,17,20,32H,8-9,13-16H2,(H,29,31).
What are the key properties of 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-[5-(2-fluorophenyl)-2-pyridinyl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 10255233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).