(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide

C19H20ClN3O4S — CID 10127077

IUPAC(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)NO
InChIInChI=1S/C19H20ClN3O4S/c20-16-4-2-5-17(14-16)22-9-11-23(12-10-22)28(26,27)18-6-1-3-15(13-18)7-8-19(24)21-25/h1-8,13-14,25H,9-12H2,(H,21,24)/b8-7+
InChIKeyCWSOCWAMOUJLOD-BQYQJAHWSA-N
MW421.91 g/mol
LogP2.37
Rot. Bonds5

About (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide (PubChem CID 10127077) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
PubChem CID10127077
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)NO
InChIInChI=1S/C19H20ClN3O4S/c20-16-4-2-5-17(14-16)22-9-11-23(12-10-22)28(26,27)18-6-1-3-15(13-18)7-8-19(24)21-25/h1-8,13-14,25H,9-12H2,(H,21,24)/b8-7+
InChIKeyCWSOCWAMOUJLOD-BQYQJAHWSA-N
XLogP2.37
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.37
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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Related Compounds

methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoate
CID 67010293
(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 10127245
N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 90827276
3-[3-[4-[4-(1-chloroethenyl)phenyl]piperazin-1-yl]sulfonylphenyl]prop-2-enoyl chloride
CID 91169398
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoyl chloride
CID 91178970
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
N-hydroxy-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 76694298
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
CID 18413944
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875
methyl 4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078610
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
3-[6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 75067343

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide (CID 10127077) is (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1)NO.
What is the InChIKey of (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
The InChIKey is CWSOCWAMOUJLOD-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c20-16-4-2-5-17(14-16)22-9-11-23(12-10-22)28(26,27)18-6-1-3-15(13-18)7-8-19(24)21-25/h1-8,13-14,25H,9-12H2,(H,21,24)/b8-7+.
What are the key properties of (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide has a molecular weight of 421.91 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 10127077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).