N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine

C19H22N4O3S — CID 11632442

IUPACN-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine
SMILESO=S(=O)(CC(C#Cc1ccccc1)NO)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O3S/c24-21-18(10-9-17-6-2-1-3-7-17)16-27(25,26)23-14-12-22(13-15-23)19-8-4-5-11-20-19/h1-8,11,18,21,24H,12-16H2
InChIKeyQWDORFFQTYJQFA-UHFFFAOYSA-N
MW386.48 g/mol
LogP0.93
Rot. Bonds5

About N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine

N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine (PubChem CID 11632442) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine
PubChem CID11632442
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine
SMILESO=S(=O)(CC(C#Cc1ccccc1)NO)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O3S/c24-21-18(10-9-17-6-2-1-3-7-17)16-27(25,26)23-14-12-22(13-15-23)19-8-4-5-11-20-19/h1-8,11,18,21,24H,12-16H2
InChIKeyQWDORFFQTYJQFA-UHFFFAOYSA-N
XLogP0.93
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 143249477
CID 143249477
N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpentan-2-yl]hydroxylamine
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CID 11588997
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-4-(trimethyl-λ4-sulfanyl)but-3-yn-2-yl]formamide
CID 143249464
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol
CID 90723023
(2S)-N-hydroxy-2-[[4-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazin-1-yl]sulfonylmethyl]-5-pyrimidin-2-ylpentanamide
CID 87909935
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
N-[3,3-dimethyl-6-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylhex-5-yn-2-yl]hydroxylamine
CID 87345230
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
2-(pyridin-2-ylmethylsulfanyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55822727

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine?
The IUPAC name of N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine (CID 11632442) is N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine?
The canonical SMILES for N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine is O=S(=O)(CC(C#Cc1ccccc1)NO)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine?
The InChIKey is QWDORFFQTYJQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-21-18(10-9-17-6-2-1-3-7-17)16-27(25,26)23-14-12-22(13-15-23)19-8-4-5-11-20-19/h1-8,11,18,21,24H,12-16H2.
What are the key properties of N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine?
N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine has a molecular weight of 386.48 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine is sourced from PubChem (CID 11632442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).