N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C10H12F3NO2S — CID 68662627

IUPACN-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2S/c1-2-14-17(15,16)7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyVKHKVNRHPWBEBQ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.14
Rot. Bonds4

About N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 68662627) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID68662627
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2S/c1-2-14-17(15,16)7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyVKHKVNRHPWBEBQ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(methylaminomethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 167065322
N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529
N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 145265595
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71798515
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide
CID 167065333
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796438
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90576082
methyl 4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71786831

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 68662627) is N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is VKHKVNRHPWBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-14-17(15,16)7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 68662627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).