2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide

C21H24ClN3O3S — CID 26628495

IUPAC2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H24ClN3O3S/c1-2-12-25(18-8-4-3-5-9-18)21(26)17-23-13-15-24(16-14-23)29(27,28)20-11-7-6-10-19(20)22/h2-11H,1,12-17H2
InChIKeyDGTSGFIBKMNSMQ-UHFFFAOYSA-N
MW433.96 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 26628495) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
PubChem CID26628495
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H24ClN3O3S/c1-2-12-25(18-8-4-3-5-9-18)21(26)17-23-13-15-24(16-14-23)29(27,28)20-11-7-6-10-19(20)22/h2-11H,1,12-17H2
InChIKeyDGTSGFIBKMNSMQ-UHFFFAOYSA-N
XLogP2.87
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
CID 8800095
N-phenyl-N-prop-2-enyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]acetamide
CID 55989405
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 55409638
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-N-phenylacetamide
CID 8787728
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 34700506
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7998536
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide (CID 26628495) is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is DGTSGFIBKMNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-2-12-25(18-8-4-3-5-9-18)21(26)17-23-13-15-24(16-14-23)29(27,28)20-11-7-6-10-19(20)22/h2-11H,1,12-17H2.
What are the key properties of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 433.96 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 26628495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).