[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C22H27N3O5S2 — CID 1435354

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-18-4-8-20(9-5-18)32(29,30)25-16-14-23(15-17-25)22(26)19-6-10-21(11-7-19)31(27,28)24-12-2-3-13-24/h4-11H,2-3,12-17H2,1H3
InChIKeyFAUICJUHJZKAIG-UHFFFAOYSA-N
MW477.61 g/mol
LogP1.93
Rot. Bonds5

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 1435354) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID1435354
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C22H27N3O5S2/c1-18-4-8-20(9-5-18)32(29,30)25-16-14-23(15-17-25)22(26)19-6-10-21(11-7-19)31(27,28)24-12-2-3-13-24/h4-11H,2-3,12-17H2,1H3
InChIKeyFAUICJUHJZKAIG-UHFFFAOYSA-N
XLogP1.93
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 1435354) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is FAUICJUHJZKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c1-18-4-8-20(9-5-18)32(29,30)25-16-14-23(15-17-25)22(26)19-6-10-21(11-7-19)31(27,28)24-12-2-3-13-24/h4-11H,2-3,12-17H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 477.61 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).