2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

C15H15F3N2O5S2 — CID 43069686

IUPAC2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15F3N2O5S2/c1-2-25-13-7-6-11(9-14(13)26(19,21)22)20-27(23,24)12-5-3-4-10(8-12)15(16,17)18/h3-9,20H,2H2,1H3,(H2,19,21,22)
InChIKeyUZQDCTOPHCQBRM-UHFFFAOYSA-N
MW424.42 g/mol
LogP2.55
Rot. Bonds6

About 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide

2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 43069686) has the molecular formula C15H15F3N2O5S2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID43069686
Molecular FormulaC15H15F3N2O5S2
Molecular Weight424.42 g/mol
Exact Mass424.04
IUPAC Name2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15F3N2O5S2/c1-2-25-13-7-6-11(9-14(13)26(19,21)22)20-27(23,24)12-5-3-4-10(8-12)15(16,17)18/h3-9,20H,2H2,1H3,(H2,19,21,22)
InChIKeyUZQDCTOPHCQBRM-UHFFFAOYSA-N
XLogP2.55
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide (CID 43069686) is 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O.
What is the InChIKey of 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is UZQDCTOPHCQBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O5S2/c1-2-25-13-7-6-11(9-14(13)26(19,21)22)20-27(23,24)12-5-3-4-10(8-12)15(16,17)18/h3-9,20H,2H2,1H3,(H2,19,21,22).
What are the key properties of 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide?
2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 424.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 43069686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).