1,1,1-trifluoro-4-phenylpentane-2-sulfonamide

C11H14F3NO2S — CID 114827711

IUPAC1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
SMILESCC(CC(C(F)(F)F)S(N)(=O)=O)c1ccccc1
InChIInChI=1S/C11H14F3NO2S/c1-8(9-5-3-2-4-6-9)7-10(11(12,13)14)18(15,16)17/h2-6,8,10H,7H2,1H3,(H2,15,16,17)
InChIKeyTYUHRTNZXZLHCU-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.40
Rot. Bonds4

About 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide

1,1,1-trifluoro-4-phenylpentane-2-sulfonamide (PubChem CID 114827711) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
PubChem CID114827711
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
SMILESCC(CC(C(F)(F)F)S(N)(=O)=O)c1ccccc1
InChIInChI=1S/C11H14F3NO2S/c1-8(9-5-3-2-4-6-9)7-10(11(12,13)14)18(15,16)17/h2-6,8,10H,7H2,1H3,(H2,15,16,17)
InChIKeyTYUHRTNZXZLHCU-UHFFFAOYSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide?
The IUPAC name of 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide (CID 114827711) is 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide?
The canonical SMILES for 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide is CC(CC(C(F)(F)F)S(N)(=O)=O)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide?
The InChIKey is TYUHRTNZXZLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-8(9-5-3-2-4-6-9)7-10(11(12,13)14)18(15,16)17/h2-6,8,10H,7H2,1H3,(H2,15,16,17).
What are the key properties of 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide?
1,1,1-trifluoro-4-phenylpentane-2-sulfonamide has a molecular weight of 281.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-phenylpentane-2-sulfonamide is sourced from PubChem (CID 114827711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).