4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol

C14H16N2O3S2 — CID 2471495

IUPAC4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H16N2O3S2/c17-13-5-3-12(4-6-13)15-7-9-16(10-8-15)21(18,19)14-2-1-11-20-14/h1-6,11,17H,7-10H2
InChIKeyAMAVAQLCDDYRMN-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.96
Rot. Bonds3

About 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol

4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol (PubChem CID 2471495) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol
PubChem CID2471495
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H16N2O3S2/c17-13-5-3-12(4-6-13)15-7-9-16(10-8-15)21(18,19)14-2-1-11-20-14/h1-6,11,17H,7-10H2
InChIKeyAMAVAQLCDDYRMN-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol?
The IUPAC name of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol (CID 2471495) is 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol.
What is the SMILES notation for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol?
The canonical SMILES for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol is O=S(=O)(c1cccs1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol?
The InChIKey is AMAVAQLCDDYRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-13-5-3-12(4-6-13)15-7-9-16(10-8-15)21(18,19)14-2-1-11-20-14/h1-6,11,17H,7-10H2.
What are the key properties of 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol?
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol has a molecular weight of 324.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenol is sourced from PubChem (CID 2471495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).