3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide

C10H12F3NO3S — CID 171772379

IUPAC3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCCc1cccc(S(N)(=O)=O)c1OCC(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-2-7-4-3-5-8(18(14,15)16)9(7)17-6-10(11,12)13/h3-5H,2,6H2,1H3,(H2,14,15,16)
InChIKeyQLKZDQRSFSKGND-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.84
Rot. Bonds4

About 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide

3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 171772379) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID171772379
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCCc1cccc(S(N)(=O)=O)c1OCC(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-2-7-4-3-5-8(18(14,15)16)9(7)17-6-10(11,12)13/h3-5H,2,6H2,1H3,(H2,14,15,16)
InChIKeyQLKZDQRSFSKGND-UHFFFAOYSA-N
XLogP1.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3,4,5,6-Pentafluorophenyl)methoxy]benzenesulfonamide
CID 118729473
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
4-[(4-Fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-(2-Phenylethoxy)benzenesulfonamide
CID 43342475
2,3-Dihydro-1-benzofuran-5-sulfonamide
CID 10899619
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 13424180
4-Ethoxy-3-methylbenzenesulfonyl chloride
CID 17389860
2,3-Dihydro-1-benzofuran-7-sulfonyl chloride
CID 18616199
2-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 22000404
4-Methoxy-3-(trifluoromethyl)benzenesulfonyl chloride
CID 22482384
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
2-Methoxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 53399143

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 171772379) is 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide is CCc1cccc(S(N)(=O)=O)c1OCC(F)(F)F.
What is the InChIKey of 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is QLKZDQRSFSKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-2-7-4-3-5-8(18(14,15)16)9(7)17-6-10(11,12)13/h3-5H,2,6H2,1H3,(H2,14,15,16).
What are the key properties of 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 171772379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).