N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide

C18H23ClN6O4S — CID 10204522

IUPACN-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide
SMILESO=CN(O)[C@@H](CCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN6O4S/c19-15-2-5-18(22-12-15)23-8-10-24(11-9-23)30(28,29)13-16(25(27)14-26)3-4-17-20-6-1-7-21-17/h1-2,5-7,12,14,16,27H,3-4,8-11,13H2/t16-/m0/s1
InChIKeySZGPCBLTXMUOPG-INIZCTEOSA-N
MW454.94 g/mol
LogP0.83
Rot. Bonds9

About N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide

N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide (PubChem CID 10204522) has the molecular formula C18H23ClN6O4S and a molecular weight of 454.94 g/mol. Its IUPAC name is N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide
PubChem CID10204522
Molecular FormulaC18H23ClN6O4S
Molecular Weight454.94 g/mol
Exact Mass454.12
IUPAC NameN-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide
SMILESO=CN(O)[C@@H](CCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN6O4S/c19-15-2-5-18(22-12-15)23-8-10-24(11-9-23)30(28,29)13-16(25(27)14-26)3-4-17-20-6-1-7-21-17/h1-2,5-7,12,14,16,27H,3-4,8-11,13H2/t16-/m0/s1
InChIKeySZGPCBLTXMUOPG-INIZCTEOSA-N
XLogP0.83
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-formylamino] (4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carboxylate;N-[1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 159912363
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]sulfonyloctan-2-yl]-N-hydroxyformamide
CID 163527589
1-(5-chloro-2-pyridinyl)-4-(2-cyclopropylpropylsulfonyl)piperazine
CID 146149427
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
CID 11588997
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-4-(trimethyl-λ4-sulfanyl)but-3-yn-2-yl]formamide
CID 143249464
N-hydroxy-N-(1-methylsulfonyl-5-pyrimidin-2-ylpentan-2-yl)formamide;1-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazine
CID 161290393
N-hydroxy-N-[5-pyrimidin-2-yl-1-[4-[5-(2-thiophen-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfanylpentan-2-yl]formamide
CID 142211863
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 11755373
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylheptan-2-yl]-N-hydroxyformamide
CID 88918963
(2S)-N-hydroxy-2-[[4-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]-5-pyrimidin-2-ylpentanamide
CID 87909935
methane;4-methylbenzenesulfonic acid;N-[(1S)-1-phenylethyl]hydroxylamine;N-[(1S)-1-phenylethyl]-N-[5-pyrimidin-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylpentan-2-yl]hydroxylamine;2-[(E)-5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylpent-4-enyl]pyrimidine;hydrofluoride
CID 159888487
(2R)-2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonylamino]-N-hydroxybutanamide
CID 139983361

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide (CID 10204522) is N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide is O=CN(O)[C@@H](CCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide?
The InChIKey is SZGPCBLTXMUOPG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23ClN6O4S/c19-15-2-5-18(22-12-15)23-8-10-24(11-9-23)30(28,29)13-16(25(27)14-26)3-4-17-20-6-1-7-21-17/h1-2,5-7,12,14,16,27H,3-4,8-11,13H2/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide?
N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide has a molecular weight of 454.94 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 10204522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).