phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H16N2O3S2 — CID 2524719

IUPACphenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16N2O3S2/c18-15(13-5-2-1-3-6-13)16-8-10-17(11-9-16)22(19,20)14-7-4-12-21-14/h1-7,12H,8-11H2
InChIKeyLWMHQSNCXDHONB-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.89
Rot. Bonds3

About phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2524719) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2524719
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Namephenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H16N2O3S2/c18-15(13-5-2-1-3-6-13)16-8-10-17(11-9-16)22(19,20)14-7-4-12-21-14/h1-7,12H,8-11H2
InChIKeyLWMHQSNCXDHONB-UHFFFAOYSA-N
XLogP1.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2524719) is phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is LWMHQSNCXDHONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-15(13-5-2-1-3-6-13)16-8-10-17(11-9-16)22(19,20)14-7-4-12-21-14/h1-7,12H,8-11H2.
What are the key properties of phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2524719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).