[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone

C17H17Cl2N3O3S — CID 38170782

IUPAC[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C17H17Cl2N3O3S/c1-12-3-2-4-15(20-12)17(23)21-7-9-22(10-8-21)26(24,25)16-11-13(18)5-6-14(16)19/h2-6,11H,7-10H2,1H3
InChIKeyJBYKFEPEKKKNPQ-UHFFFAOYSA-N
MW414.31 g/mol
LogP2.84
Rot. Bonds3

About [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 38170782) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID38170782
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1
InChIInChI=1S/C17H17Cl2N3O3S/c1-12-3-2-4-15(20-12)17(23)21-7-9-22(10-8-21)26(24,25)16-11-13(18)5-6-14(16)19/h2-6,11H,7-10H2,1H3
InChIKeyJBYKFEPEKKKNPQ-UHFFFAOYSA-N
XLogP2.84
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 56511219
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 112773721
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 26204353
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 38169111
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone
CID 26204373
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496684
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 38170782) is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is JBYKFEPEKKKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-12-3-2-4-15(20-12)17(23)21-7-9-22(10-8-21)26(24,25)16-11-13(18)5-6-14(16)19/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 414.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 38170782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).