3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C19H23F3N6O3S — CID 134823713

IUPAC3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(N3CCC(O)CC3)cc2)c1C1NNNN1
InChIInChI=1S/C19H23F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,18,24-27,29H,7-10H2,(H2,23,30,31)
InChIKeyOJHHJLNSMURFFY-UHFFFAOYSA-N
MW472.49 g/mol
LogP1.10
Rot. Bonds4

About 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823713) has the molecular formula C19H23F3N6O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823713
Molecular FormulaC19H23F3N6O3S
Molecular Weight472.49 g/mol
Exact Mass472.15
IUPAC Name3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(N3CCC(O)CC3)cc2)c1C1NNNN1
InChIInChI=1S/C19H23F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,18,24-27,29H,7-10H2,(H2,23,30,31)
InChIKeyOJHHJLNSMURFFY-UHFFFAOYSA-N
XLogP1.10
TPSA131.75 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 51.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823713) is 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(N3CCC(O)CC3)cc2)c1C1NNNN1.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OJHHJLNSMURFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,18,24-27,29H,7-10H2,(H2,23,30,31).
What are the key properties of 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 472.49 g/mol, XLogP of 1.10, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).