3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C19H22N2O3S — CID 6461689

IUPAC3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-19(11-16-25(23,24)18-9-5-2-6-10-18)21-14-12-20(13-15-21)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyHQHDVHRPVIITBY-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.20
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 6461689) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID6461689
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-19(11-16-25(23,24)18-9-5-2-6-10-18)21-14-12-20(13-15-21)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyHQHDVHRPVIITBY-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 6461689) is 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is HQHDVHRPVIITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(11-16-25(23,24)18-9-5-2-6-10-18)21-14-12-20(13-15-21)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 358.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 6461689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).