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

C19H20N4O6S — CID 10127245

IUPAC(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)NO
InChIInChI=1S/C19H20N4O6S/c24-19(20-25)9-4-15-2-1-3-18(14-15)30(28,29)22-12-10-21(11-13-22)16-5-7-17(8-6-16)23(26)27/h1-9,14,25H,10-13H2,(H,20,24)/b9-4+
InChIKeyFFPIOFQSIUYRAY-RUDMXATFSA-N
MW432.46 g/mol
LogP1.62
Rot. Bonds6

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

(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (PubChem CID 10127245) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
PubChem CID10127245
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC Name(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)NO
InChIInChI=1S/C19H20N4O6S/c24-19(20-25)9-4-15-2-1-3-18(14-15)30(28,29)22-12-10-21(11-13-22)16-5-7-17(8-6-16)23(26)27/h1-9,14,25H,10-13H2,(H,20,24)/b9-4+
InChIKeyFFPIOFQSIUYRAY-RUDMXATFSA-N
XLogP1.62
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 76694298
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10127077
1-(4-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 19682752
N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 90827276
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 5041897
3-[3-[4-[4-(1-chloroethenyl)phenyl]piperazin-1-yl]sulfonylphenyl]prop-2-enoyl chloride
CID 91169398
(Z)-3-(3-nitrophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 92910452
(E)-3-(3-methylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 9496290
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108163
N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108162
3-(3-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 2932782
methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoate
CID 67010293

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide (CID 10127245) is (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
The InChIKey is FFPIOFQSIUYRAY-RUDMXATFSA-N. The full InChI is InChI=1S/C19H20N4O6S/c24-19(20-25)9-4-15-2-1-3-18(14-15)30(28,29)22-12-10-21(11-13-22)16-5-7-17(8-6-16)23(26)27/h1-9,14,25H,10-13H2,(H,20,24)/b9-4+.
What are the key properties of (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide has a molecular weight of 432.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide is sourced from PubChem (CID 10127245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).