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

C13H15F6NO3S — CID 24765464

IUPAC4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F6NO3S/c1-2-8-3-5-9(6-4-8)24(22,23)20-10(7-21)11(12(14,15)16)13(17,18)19/h3-6,10-11,20-21H,2,7H2,1H3
InChIKeyGJBFSMCZGCEUEN-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.63
Rot. Bonds6

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

4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide (PubChem CID 24765464) has the molecular formula C13H15F6NO3S and a molecular weight of 379.32 g/mol. Its IUPAC name is 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
PubChem CID24765464
Molecular FormulaC13H15F6NO3S
Molecular Weight379.32 g/mol
Exact Mass379.07
IUPAC Name4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F6NO3S/c1-2-8-3-5-9(6-4-8)24(22,23)20-10(7-21)11(12(14,15)16)13(17,18)19/h3-6,10-11,20-21H,2,7H2,1H3
InChIKeyGJBFSMCZGCEUEN-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide (CID 24765464) is 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
The InChIKey is GJBFSMCZGCEUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO3S/c1-2-8-3-5-9(6-4-8)24(22,23)20-10(7-21)11(12(14,15)16)13(17,18)19/h3-6,10-11,20-21H,2,7H2,1H3.
What are the key properties of 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide?
4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide has a molecular weight of 379.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 24765464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).