3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine

C10H12F3NO2S — CID 58685008

IUPAC3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)8-3-1-4-9(7-8)17(15,16)6-2-5-14/h1,3-4,7H,2,5-6,14H2
InChIKeyHYHVKIMKSOYRER-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.83
Rot. Bonds4

About 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine

3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine (PubChem CID 58685008) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
PubChem CID58685008
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)8-3-1-4-9(7-8)17(15,16)6-2-5-14/h1,3-4,7H,2,5-6,14H2
InChIKeyHYHVKIMKSOYRER-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)ethan-1-amine
CID 3545497
3-(Benzenesulfonyl)propan-1-amine
CID 5007910
2-(3-Benzenesulfonyl)phenyl-1-aminoethane
CID 11849199
N-butyl-3-(trifluoromethyl)benzene-1-sulfonamide
CID 2483939
(3-(Methylsulfonyl)phenyl)methanamine
CID 2760937
2-Phenylmethanesulfonylethan-1-amine
CID 24700407
3-Phenylmethanesulfonylpropan-1-amine
CID 24703399
N-{2-[(4-methylphenyl)thio]ethyl}methanesulfonamide
CID 2267413
2-[[4-(Trifluoromethyl)phenyl]sulphonyl]ethanethioamide
CID 2744227
4-{[3-(Trifluoromethyl)phenyl]sulfonyl}piperidine hydrochloride
CID 2782725
2-(4-Methylbenzenesulfonyl)ethylamine hydrochloride
CID 17749890
2-Phenylmethanesulfinylethan-1-amine
CID 20369698

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine (CID 58685008) is 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine is NCCCS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
The InChIKey is HYHVKIMKSOYRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)8-3-1-4-9(7-8)17(15,16)6-2-5-14/h1,3-4,7H,2,5-6,14H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine has a molecular weight of 267.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58685008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).