N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

C10H12F3NO2S — CID 5156375

IUPACN-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c1-17(15,16)14-6-5-8-3-2-4-9(7-8)10(11,12)13/h2-4,7,14H,5-6H2,1H3
InChIKeyMTSCCOAPBGSGGP-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.80
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (PubChem CID 5156375) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
PubChem CID5156375
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c1-17(15,16)14-6-5-8-3-2-4-9(7-8)10(11,12)13/h2-4,7,14H,5-6H2,1H3
InChIKeyMTSCCOAPBGSGGP-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 33248716
N-[2-(3-hydroxyphenyl)ethyl]methanesulfonamide
CID 52911550
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3813210
3-[2-[3-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid
CID 87844997
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
CID 67402200
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 57430119
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (CID 5156375) is N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is MTSCCOAPBGSGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-17(15,16)14-6-5-8-3-2-4-9(7-8)10(11,12)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 5156375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).