N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide

C20H19F6NO4S — CID 20704193

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C20H19F6NO4S/c21-19(22,23)18(28,20(24,25)26)14-6-8-15(9-7-14)27(16-10-12-31-13-11-16)32(29,30)17-4-2-1-3-5-17/h1-9,16,28H,10-13H2
InChIKeyZPQCYZBWSANWBM-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.37
Rot. Bonds5

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 20704193) has the molecular formula C20H19F6NO4S and a molecular weight of 483.43 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide
PubChem CID20704193
Molecular FormulaC20H19F6NO4S
Molecular Weight483.43 g/mol
Exact Mass483.09
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C20H19F6NO4S/c21-19(22,23)18(28,20(24,25)26)14-6-8-15(9-7-14)27(16-10-12-31-13-11-16)32(29,30)17-4-2-1-3-5-17/h1-9,16,28H,10-13H2
InChIKeyZPQCYZBWSANWBM-UHFFFAOYSA-N
XLogP4.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide (CID 20704193) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is ZPQCYZBWSANWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO4S/c21-19(22,23)18(28,20(24,25)26)14-6-8-15(9-7-14)27(16-10-12-31-13-11-16)32(29,30)17-4-2-1-3-5-17/h1-9,16,28H,10-13H2.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 483.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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]-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 20704193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).