4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide

C14H17F6NO3S — CID 24765546

IUPAC4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H17F6NO3S/c1-8(2)9-3-5-10(6-4-9)25(23,24)21-11(7-22)12(13(15,16)17)14(18,19)20/h3-6,8,11-12,21-22H,7H2,1-2H3
InChIKeyLLOXBZRWSYPLMY-UHFFFAOYSA-N
MW393.35 g/mol
LogP3.19
Rot. Bonds6

About 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide

4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide (PubChem CID 24765546) has the molecular formula C14H17F6NO3S and a molecular weight of 393.35 g/mol. Its IUPAC name is 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
PubChem CID24765546
Molecular FormulaC14H17F6NO3S
Molecular Weight393.35 g/mol
Exact Mass393.08
IUPAC Name4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H17F6NO3S/c1-8(2)9-3-5-10(6-4-9)25(23,24)21-11(7-22)12(13(15,16)17)14(18,19)20/h3-6,8,11-12,21-22H,7H2,1-2H3
InChIKeyLLOXBZRWSYPLMY-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide (CID 24765546) is 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
The InChIKey is LLOXBZRWSYPLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6NO3S/c1-8(2)9-3-5-10(6-4-9)25(23,24)21-11(7-22)12(13(15,16)17)14(18,19)20/h3-6,8,11-12,21-22H,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide has a molecular weight of 393.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 24765546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).