N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

C10H13F3N2O2S — CID 120998849

IUPACN-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNCCNS(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c11-10(12,13)9-4-2-1-3-8(9)7-18(16,17)15-6-5-14/h1-4,15H,5-7,14H2
InChIKeyOUGKPBGGFKZBPX-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.08
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 120998849) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID120998849
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNCCNS(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c11-10(12,13)9-4-2-1-3-8(9)7-18(16,17)15-6-5-14/h1-4,15H,5-7,14H2
InChIKeyOUGKPBGGFKZBPX-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 86065127
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 86794026
ethyl [2-(trifluoromethyl)phenyl]methanesulfonate
CID 159838378
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999521
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
5-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-1,3,4-thiadiazol-2-amine
CID 122157804
1-(3-aminopropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea;hydrochloride
CID 154905922

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 120998849) is N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is NCCNS(=O)(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is OUGKPBGGFKZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c11-10(12,13)9-4-2-1-3-8(9)7-18(16,17)15-6-5-14/h1-4,15H,5-7,14H2.
What are the key properties of N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120998849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).