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

C17H15F6NO4S — CID 72722950

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H15F6NO4S/c18-16(19,20)15(26,17(21,22)23)12-6-8-13(9-7-12)24(10-11-25)29(27,28)14-4-2-1-3-5-14/h1-9,25-26H,10-11H2
InChIKeyQUHQWKCNBXVSDH-UHFFFAOYSA-N
MW443.37 g/mol
LogP3.19
Rot. Bonds6

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 72722950) has the molecular formula C17H15F6NO4S and a molecular weight of 443.37 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID72722950
Molecular FormulaC17H15F6NO4S
Molecular Weight443.37 g/mol
Exact Mass443.06
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H15F6NO4S/c18-16(19,20)15(26,17(21,22)23)12-6-8-13(9-7-12)24(10-11-25)29(27,28)14-4-2-1-3-5-14/h1-9,25-26H,10-11H2
InChIKeyQUHQWKCNBXVSDH-UHFFFAOYSA-N
XLogP3.19
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 72722950) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is QUHQWKCNBXVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO4S/c18-16(19,20)15(26,17(21,22)23)12-6-8-13(9-7-12)24(10-11-25)29(27,28)14-4-2-1-3-5-14/h1-9,25-26H,10-11H2.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 443.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 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-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 72722950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).