1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol

C15H16F3NO4S — CID 75433594

IUPAC1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol
SMILESO=S(=O)(c1cc2ccccc2o1)N1CCCCC1C(O)C(F)(F)F
InChIInChI=1S/C15H16F3NO4S/c16-15(17,18)14(20)11-6-3-4-8-19(11)24(21,22)13-9-10-5-1-2-7-12(10)23-13/h1-2,5,7,9,11,14,20H,3-4,6,8H2
InChIKeyZBGQAKJHCMPTKJ-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol

1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol (PubChem CID 75433594) has the molecular formula C15H16F3NO4S and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol
PubChem CID75433594
Molecular FormulaC15H16F3NO4S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC Name1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol
SMILESO=S(=O)(c1cc2ccccc2o1)N1CCCCC1C(O)C(F)(F)F
InChIInChI=1S/C15H16F3NO4S/c16-15(17,18)14(20)11-6-3-4-8-19(11)24(21,22)13-9-10-5-1-2-7-12(10)23-13/h1-2,5,7,9,11,14,20H,3-4,6,8H2
InChIKeyZBGQAKJHCMPTKJ-UHFFFAOYSA-N
XLogP2.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol (CID 75433594) is 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol is O=S(=O)(c1cc2ccccc2o1)N1CCCCC1C(O)C(F)(F)F.
What is the InChIKey of 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is ZBGQAKJHCMPTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO4S/c16-15(17,18)14(20)11-6-3-4-8-19(11)24(21,22)13-9-10-5-1-2-7-12(10)23-13/h1-2,5,7,9,11,14,20H,3-4,6,8H2.
What are the key properties of 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol?
1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 363.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-ylsulfonyl)piperidin-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 75433594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).