(E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

C18H20N4O4S — CID 10287354

IUPAC(E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1)NO
InChIInChI=1S/C18H20N4O4S/c23-18(20-24)8-7-15-4-3-5-16(14-15)27(25,26)22-12-10-21(11-13-22)17-6-1-2-9-19-17/h1-9,14,24H,10-13H2,(H,20,23)/b8-7+
InChIKeyDLMFHCAVVCMQKD-BQYQJAHWSA-N
MW388.45 g/mol
LogP1.11
Rot. Bonds5

About (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 10287354) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID10287354
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name(E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1)NO
InChIInChI=1S/C18H20N4O4S/c23-18(20-24)8-7-15-4-3-5-16(14-15)27(25,26)22-12-10-21(11-13-22)17-6-1-2-9-19-17/h1-9,14,24H,10-13H2,(H,20,23)/b8-7+
InChIKeyDLMFHCAVVCMQKD-BQYQJAHWSA-N
XLogP1.11
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (CID 10287354) is (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is DLMFHCAVVCMQKD-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H20N4O4S/c23-18(20-24)8-7-15-4-3-5-16(14-15)27(25,26)22-12-10-21(11-13-22)17-6-1-2-9-19-17/h1-9,14,24H,10-13H2,(H,20,23)/b8-7+.
What are the key properties of (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 388.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 10287354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).