N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide

C14H16F6N2O3S — CID 10201346

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H16F6N2O3S/c15-13(16,17)12(23,14(18,19)20)10-4-6-11(7-5-10)21-26(24,25)22-8-2-1-3-9-22/h4-7,21,23H,1-3,8-9H2
InChIKeyOTVVWUNMEHRSAT-UHFFFAOYSA-N
MW406.35 g/mol
LogP3.14
Rot. Bonds4

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide (PubChem CID 10201346) has the molecular formula C14H16F6N2O3S and a molecular weight of 406.35 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide
PubChem CID10201346
Molecular FormulaC14H16F6N2O3S
Molecular Weight406.35 g/mol
Exact Mass406.08
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H16F6N2O3S/c15-13(16,17)12(23,14(18,19)20)10-4-6-11(7-5-10)21-26(24,25)22-8-2-1-3-9-22/h4-7,21,23H,1-3,8-9H2
InChIKeyOTVVWUNMEHRSAT-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide (CID 10201346) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide is O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide?
The InChIKey is OTVVWUNMEHRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2O3S/c15-13(16,17)12(23,14(18,19)20)10-4-6-11(7-5-10)21-26(24,25)22-8-2-1-3-9-22/h4-7,21,23H,1-3,8-9H2.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide has a molecular weight of 406.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide is sourced from PubChem (CID 10201346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).