[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

C24H23N3O3S — CID 22628068

IUPAC[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
SMILESC=Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)cc1
InChIInChI=1S/C24H23N3O3S/c1-2-19-3-9-23(10-4-19)31(29,30)27-17-15-26(16-18-27)24(28)22-7-5-20(6-8-22)21-11-13-25-14-12-21/h2-14H,1,15-18H2
InChIKeyZZCMJRDWJIFUEH-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.54
Rot. Bonds5

About [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone (PubChem CID 22628068) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
PubChem CID22628068
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
SMILESC=Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)cc1
InChIInChI=1S/C24H23N3O3S/c1-2-19-3-9-23(10-4-19)31(29,30)27-17-15-26(16-18-27)24(28)22-7-5-20(6-8-22)21-11-13-25-14-12-21/h2-14H,1,15-18H2
InChIKeyZZCMJRDWJIFUEH-UHFFFAOYSA-N
XLogP3.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 31793755
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
pyridin-4-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4875578
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055
(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 113072709
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 15860387
3-[4-(4-ethenylbenzoyl)piperazin-1-yl]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 58364141
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55570724
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The IUPAC name of [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone (CID 22628068) is [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone is C=Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The InChIKey is ZZCMJRDWJIFUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-2-19-3-9-23(10-4-19)31(29,30)27-17-15-26(16-18-27)24(28)22-7-5-20(6-8-22)21-11-13-25-14-12-21/h2-14H,1,15-18H2.
What are the key properties of [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone has a molecular weight of 433.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 22628068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).