2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

C19H22Cl2N4O3S — CID 42439032

IUPAC2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N4O3S/c20-15-5-6-16(17(21)14-15)19(26)23-8-3-13-29(27,28)25-11-9-24(10-12-25)18-4-1-2-7-22-18/h1-2,4-7,14H,3,8-13H2,(H,23,26)
InChIKeySMZFOWIHFKCECD-UHFFFAOYSA-N
MW457.38 g/mol
LogP2.66
Rot. Bonds7

About 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42439032) has the molecular formula C19H22Cl2N4O3S and a molecular weight of 457.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42439032
Molecular FormulaC19H22Cl2N4O3S
Molecular Weight457.38 g/mol
Exact Mass456.08
IUPAC Name2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESO=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N4O3S/c20-15-5-6-16(17(21)14-15)19(26)23-8-3-13-29(27,28)25-11-9-24(10-12-25)18-4-1-2-7-22-18/h1-2,4-7,14H,3,8-13H2,(H,23,26)
InChIKeySMZFOWIHFKCECD-UHFFFAOYSA-N
XLogP2.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175526
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
2-(2-chlorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 25285260
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
3-cyclopentyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438818
2-naphthalen-2-yloxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439142

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42439032) is 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide is O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is SMZFOWIHFKCECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3S/c20-15-5-6-16(17(21)14-15)19(26)23-8-3-13-29(27,28)25-11-9-24(10-12-25)18-4-1-2-7-22-18/h1-2,4-7,14H,3,8-13H2,(H,23,26).
What are the key properties of 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 457.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42439032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).