4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO3S — CID 956339

IUPAC4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO3S/c1-2-22-13-7-9-14(10-8-13)23(20,21)19-12-5-3-11(4-6-12)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyLWURWJRNXTWPTN-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.90
Rot. Bonds5

About 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 956339) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID956339
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO3S/c1-2-22-13-7-9-14(10-8-13)23(20,21)19-12-5-3-11(4-6-12)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyLWURWJRNXTWPTN-UHFFFAOYSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 956339) is 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is LWURWJRNXTWPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-2-22-13-7-9-14(10-8-13)23(20,21)19-12-5-3-11(4-6-12)15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 956339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).