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

C19H23F3N6O3S — CID 134823714

IUPAC3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc(N3CCC(O)CC3)c2)c1C1NNNN1
InChIInChI=1S/C19H23F3N6O3S/c20-19(21,22)15-5-4-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-2-1-3-12(10-11)28-8-6-13(29)7-9-28/h1-5,10,13,18,24-27,29H,6-9H2,(H2,23,30,31)
InChIKeyRKAPLZKXEMUTBL-UHFFFAOYSA-N
MW472.49 g/mol
LogP1.10
Rot. Bonds4

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

3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823714) has the molecular formula C19H23F3N6O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823714
Molecular FormulaC19H23F3N6O3S
Molecular Weight472.49 g/mol
Exact Mass472.15
IUPAC Name3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc(N3CCC(O)CC3)c2)c1C1NNNN1
InChIInChI=1S/C19H23F3N6O3S/c20-19(21,22)15-5-4-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-2-1-3-12(10-11)28-8-6-13(29)7-9-28/h1-5,10,13,18,24-27,29H,6-9H2,(H2,23,30,31)
InChIKeyRKAPLZKXEMUTBL-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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Related Compounds

3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823713
3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266006
3-[4-[1-(2-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823759
3-[4-(1-pyrrolidin-3-ylpiperidin-4-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823757
3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823685
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823493
3-[4-(2-aminoethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[cyclohexyl(hydroxy)methyl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(3-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(sulfamoylmethyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 160670832
3-(4-piperazin-1-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266386
1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
1-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 67036773
1-(3-hydroxyphenyl)azepan-4-ol
CID 115025213
1-[3-(trifluoromethylsulfonyl)phenyl]piperidine
CID 67355802

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823714) is 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc(N3CCC(O)CC3)c2)c1C1NNNN1.
What is the InChIKey of 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RKAPLZKXEMUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O3S/c20-19(21,22)15-5-4-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-2-1-3-12(10-11)28-8-6-13(29)7-9-28/h1-5,10,13,18,24-27,29H,6-9H2,(H2,23,30,31).
What are the key properties of 3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-[3-(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-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).