N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide

C17H24N4O4S — CID 11588997

IUPACN-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
SMILESCCCC#CC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)N(O)C=O
InChIInChI=1S/C17H24N4O4S/c1-2-3-4-7-16(21(23)15-22)14-26(24,25)20-12-10-19(11-13-20)17-8-5-6-9-18-17/h5-6,8-9,15-16,23H,2-3,10-14H2,1H3
InChIKeyFZGUGZINRYVUPV-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.55
Rot. Bonds7

About N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide

N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide (PubChem CID 11588997) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
PubChem CID11588997
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
SMILESCCCC#CC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)N(O)C=O
InChIInChI=1S/C17H24N4O4S/c1-2-3-4-7-16(21(23)15-22)14-26(24,25)20-12-10-19(11-13-20)17-8-5-6-9-18-17/h5-6,8-9,15-16,23H,2-3,10-14H2,1H3
InChIKeyFZGUGZINRYVUPV-UHFFFAOYSA-N
XLogP0.55
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide?
The IUPAC name of N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide (CID 11588997) is N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide?
The canonical SMILES for N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide is CCCC#CC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)N(O)C=O.
What is the InChIKey of N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide?
The InChIKey is FZGUGZINRYVUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-2-3-4-7-16(21(23)15-22)14-26(24,25)20-12-10-19(11-13-20)17-8-5-6-9-18-17/h5-6,8-9,15-16,23H,2-3,10-14H2,1H3.
What are the key properties of N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide?
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide has a molecular weight of 380.47 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide is sourced from PubChem (CID 11588997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).