N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide

C10H12F3NO2S — CID 67575937

IUPACN-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-8-5-3-4-6-9(8)14-17(15,16)7-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyMKWAQWYOVGYQLT-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.55
Rot. Bonds4

About N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide

N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 67575937) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID67575937
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-8-5-3-4-6-9(8)14-17(15,16)7-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyMKWAQWYOVGYQLT-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide (CID 67575937) is N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide is CCc1ccccc1NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is MKWAQWYOVGYQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-8-5-3-4-6-9(8)14-17(15,16)7-10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide?
N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 67575937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).