2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide

C22H20Cl2N4O3S — CID 24956235

IUPAC2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N4O3S/c23-16-6-8-19(20(24)14-16)22(29)26-32(30,31)18-7-9-21(25-15-18)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyCMDJBAMWHCWPEK-UHFFFAOYSA-N
MW491.40 g/mol
LogP3.83
Rot. Bonds5

About 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide

2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide (PubChem CID 24956235) has the molecular formula C22H20Cl2N4O3S and a molecular weight of 491.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
PubChem CID24956235
Molecular FormulaC22H20Cl2N4O3S
Molecular Weight491.40 g/mol
Exact Mass490.06
IUPAC Name2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N4O3S/c23-16-6-8-19(20(24)14-16)22(29)26-32(30,31)18-7-9-21(25-15-18)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,26,29)
InChIKeyCMDJBAMWHCWPEK-UHFFFAOYSA-N
XLogP3.83
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzamide
CID 24956239
N-[[6-(azepan-1-yl)-3-pyridinyl]sulfonyl]-4-chloro-2-(trifluoromethyl)benzamide
CID 24998166
2-chloro-4-fluorobenzamide;6-(4-phenylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 87306082
2,4-dichlorobenzamide;6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 87307663
2,4-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]benzamide
CID 24997264
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 9282287
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729935
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
sodium (2-chloro-4-fluorobenzoyl)-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]azanide
CID 24956236
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide (CID 24956235) is 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide is O=C(NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is CMDJBAMWHCWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3S/c23-16-6-8-19(20(24)14-16)22(29)26-32(30,31)18-7-9-21(25-15-18)28-12-10-27(11-13-28)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,26,29).
What are the key properties of 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 491.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 24956235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).