N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide

C11H15F3N2O2S — CID 106338529

IUPACN-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)8-7-15-10-5-3-9(4-6-10)11(12,13)14/h3-6,15-16H,2,7-8H2,1H3
InChIKeyYXNDYYHLNUBKKB-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.06
Rot. Bonds6

About N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide

N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide (PubChem CID 106338529) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
PubChem CID106338529
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)8-7-15-10-5-3-9(4-6-10)11(12,13)14/h3-6,15-16H,2,7-8H2,1H3
InChIKeyYXNDYYHLNUBKKB-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
CID 106338116
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342809
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327
1-[4-(trifluoromethyl)anilino]pentan-3-one
CID 154015684
3-bromo-5-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342816
2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
CID 114174884
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-propyl-4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 134216743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide (CID 106338529) is N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide is CCNS(=O)(=O)CCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide?
The InChIKey is YXNDYYHLNUBKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-16-19(17,18)8-7-15-10-5-3-9(4-6-10)11(12,13)14/h3-6,15-16H,2,7-8H2,1H3.
What are the key properties of N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide?
N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide is sourced from PubChem (CID 106338529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).