(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide

C13H20ClN5O4S — CID 139983361

IUPAC(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide
SMILESCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(=O)NO
InChIInChI=1S/C13H20ClN5O4S/c1-2-11(13(20)16-21)17-24(22,23)19-7-5-18(6-8-19)12-4-3-10(14)9-15-12/h3-4,9,11,17,21H,2,5-8H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyKOUOXXGDJWCWLD-LLVKDONJSA-N
MW377.85 g/mol
LogP-0.02
Rot. Bonds6

About (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide

(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide (PubChem CID 139983361) has the molecular formula C13H20ClN5O4S and a molecular weight of 377.85 g/mol. Its IUPAC name is (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide
PubChem CID139983361
Molecular FormulaC13H20ClN5O4S
Molecular Weight377.85 g/mol
Exact Mass377.09
IUPAC Name(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide
SMILESCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(=O)NO
InChIInChI=1S/C13H20ClN5O4S/c1-2-11(13(20)16-21)17-24(22,23)19-7-5-18(6-8-19)12-4-3-10(14)9-15-12/h3-4,9,11,17,21H,2,5-8H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyKOUOXXGDJWCWLD-LLVKDONJSA-N
XLogP-0.02
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 5-0.02
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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Related Compounds

(2R)-2-[[4-(4-chlorophenyl)piperazin-1-yl]sulfonylamino]-N-hydroxypentanamide
CID 18727164
4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide
CID 25119886
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317
1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
CID 146149427
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
(3S)-3-[(2R)-4-(5-chloro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
CID 88864673
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
CID 82167513
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butanethioamide
CID 63342498
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
4-(5-chloro-2-pyridinyl)-N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-1,4-diazepane-1-sulfonamide
CID 67525529
4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
CID 95905728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide?
The IUPAC name of (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide (CID 139983361) is (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide.
What is the SMILES notation for (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide?
The canonical SMILES for (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide is CC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)C(=O)NO.
What is the InChIKey of (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide?
The InChIKey is KOUOXXGDJWCWLD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20ClN5O4S/c1-2-11(13(20)16-21)17-24(22,23)19-7-5-18(6-8-19)12-4-3-10(14)9-15-12/h3-4,9,11,17,21H,2,5-8H2,1H3,(H,16,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide?
(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide has a molecular weight of 377.85 g/mol, XLogP of -0.02, 6 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)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide is sourced from PubChem (CID 139983361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).