N-ethyl-3-(trifluoromethoxy)benzenesulfonamide

C9H10F3NO3S — CID 43243258

IUPACN-ethyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO3S/c1-2-13-17(14,15)8-5-3-4-7(6-8)16-9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyMSAKUSOTXODEMA-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.88
Rot. Bonds4

About N-ethyl-3-(trifluoromethoxy)benzenesulfonamide

N-ethyl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 43243258) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID43243258
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC NameN-ethyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO3S/c1-2-13-17(14,15)8-5-3-4-7(6-8)16-9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyMSAKUSOTXODEMA-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
3-(ethylsulfamoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46449405
N-(1-hydroxypentan-3-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 115755279
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 120721583
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-ethyl-3-(trifluoromethoxy)benzenesulfonamide (CID 43243258) is N-ethyl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-(trifluoromethoxy)benzenesulfonamide is CCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-ethyl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MSAKUSOTXODEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-2-13-17(14,15)8-5-3-4-7(6-8)16-9(10,11)12/h3-6,13H,2H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethoxy)benzenesulfonamide?
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 43243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).