(4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C21H25N3O3S — CID 1086756

IUPAC(4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3S/c25-21(23-16-14-22(15-17-23)19-6-2-1-3-7-19)18-8-10-20(11-9-18)28(26,27)24-12-4-5-13-24/h1-3,6-11H,4-5,12-17H2
InChIKeyVKZBJFDYYILWMK-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.43
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

(4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 1086756) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID1086756
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name(4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3S/c25-21(23-16-14-22(15-17-23)19-6-2-1-3-7-19)18-8-10-20(11-9-18)28(26,27)24-12-4-5-13-24/h1-3,6-11H,4-5,12-17H2
InChIKeyVKZBJFDYYILWMK-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 1086756) is (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is VKZBJFDYYILWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(23-16-14-22(15-17-23)19-6-2-1-3-7-19)18-8-10-20(11-9-18)28(26,27)24-12-4-5-13-24/h1-3,6-11H,4-5,12-17H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
(4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 399.52 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1086756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).