(2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide

C15H23ClN4O5S — CID 10069936

IUPAC(2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO
InChIInChI=1S/C15H23ClN4O5S/c1-10(2)14(15(21)18-22)19-26(23,24)20-7-5-12(6-8-20)25-13-4-3-11(16)9-17-13/h3-4,9-10,12,14,19,22H,5-8H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyBMQVWLIVQKJCOL-CQSZACIVSA-N
MW406.89 g/mol
LogP0.94
Rot. Bonds7

About (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 10069936) has the molecular formula C15H23ClN4O5S and a molecular weight of 406.89 g/mol. Its IUPAC name is (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID10069936
Molecular FormulaC15H23ClN4O5S
Molecular Weight406.89 g/mol
Exact Mass406.11
IUPAC Name(2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO
InChIInChI=1S/C15H23ClN4O5S/c1-10(2)14(15(21)18-22)19-26(23,24)20-7-5-12(6-8-20)25-13-4-3-11(16)9-17-13/h3-4,9-10,12,14,19,22H,5-8H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyBMQVWLIVQKJCOL-CQSZACIVSA-N
XLogP0.94
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 50.94
H-Bond Donors ≤ 53
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 (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 10069936) is (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@@H](NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO.
What is the InChIKey of (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is BMQVWLIVQKJCOL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23ClN4O5S/c1-10(2)14(15(21)18-22)19-26(23,24)20-7-5-12(6-8-20)25-13-4-3-11(16)9-17-13/h3-4,9-10,12,14,19,22H,5-8H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 406.89 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 10069936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).