4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine

C11H14F3NO2S — CID 106584831

IUPAC4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
SMILESCC(N)CCS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2S/c1-8(15)6-7-18(16,17)10-4-2-9(3-5-10)11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyZICVLMDJSNPZTL-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.22
Rot. Bonds4

About 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine

4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine (PubChem CID 106584831) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
PubChem CID106584831
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
SMILESCC(N)CCS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2S/c1-8(15)6-7-18(16,17)10-4-2-9(3-5-10)11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyZICVLMDJSNPZTL-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64645518
3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 106584879
1-heptan-2-ylsulfonyl-4-(trifluoromethyl)benzene
CID 154349381
ethyl 2-[4-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 58198449
4-(4-methoxy-3-methylphenyl)sulfonylbutan-2-amine
CID 117036279
1-methylsulfanyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanol
CID 165397696
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
1-(propan-2-ylamino)-3-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 106585563
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
[4-(trifluoromethyl)phenyl]methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 55443512
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
2-(3-aminobutyl)-4-(trifluoromethyl)aniline
CID 105490665

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine (CID 106584831) is 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine is CC(N)CCS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine?
The InChIKey is ZICVLMDJSNPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-8(15)6-7-18(16,17)10-4-2-9(3-5-10)11(12,13)14/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine?
4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine has a molecular weight of 281.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]sulfonylbutan-2-amine is sourced from PubChem (CID 106584831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).