N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide

C12H17F3N2O3S — CID 60909343

IUPACN-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O3S/c1-21(19,20)17-7-6-16-8-11(18)9-2-4-10(5-3-9)12(13,14)15/h2-5,11,16-18H,6-8H2,1H3
InChIKeyOOGMNFIEWVCZOZ-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.88
Rot. Bonds7

About N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide

N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide (PubChem CID 60909343) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
PubChem CID60909343
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC NameN-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O3S/c1-21(19,20)17-7-6-16-8-11(18)9-2-4-10(5-3-9)12(13,14)15/h2-5,11,16-18H,6-8H2,1H3
InChIKeyOOGMNFIEWVCZOZ-UHFFFAOYSA-N
XLogP0.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl] methanesulfonate
CID 87402636
5-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 90534838
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide (CID 60909343) is N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide?
The InChIKey is OOGMNFIEWVCZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-21(19,20)17-7-6-16-8-11(18)9-2-4-10(5-3-9)12(13,14)15/h2-5,11,16-18H,6-8H2,1H3.
What are the key properties of N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide?
N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 60909343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).