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

C19H21N3O4S — CID 10309493

IUPAC(E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NO
InChIInChI=1S/C19H21N3O4S/c23-19(20-24)10-9-16-5-4-8-18(15-16)27(25,26)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-10,15,24H,11-14H2,(H,20,23)/b10-9+
InChIKeyCBKGZQAVXZQSHA-MDZDMXLPSA-N
MW387.46 g/mol
LogP1.72
Rot. Bonds5

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

(E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (PubChem CID 10309493) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
PubChem CID10309493
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name(E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NO
InChIInChI=1S/C19H21N3O4S/c23-19(20-24)10-9-16-5-4-8-18(15-16)27(25,26)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-10,15,24H,11-14H2,(H,20,23)/b10-9+
InChIKeyCBKGZQAVXZQSHA-MDZDMXLPSA-N
XLogP1.72
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide (CID 10309493) is (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
The InChIKey is CBKGZQAVXZQSHA-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-19(20-24)10-9-16-5-4-8-18(15-16)27(25,26)22-13-11-21(12-14-22)17-6-2-1-3-7-17/h1-10,15,24H,11-14H2,(H,20,23)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide has a molecular weight of 387.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 10309493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).