2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide

C13H10F3NO3S — CID 67145953

IUPAC2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO3S/c14-13(15,16)9-5-1-2-6-10(9)20-11-7-3-4-8-12(11)21(17,18)19/h1-8H,(H2,17,18,19)
InChIKeySRDHDIDOBDYBTB-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide

2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 67145953) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID67145953
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC Name2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO3S/c14-13(15,16)9-5-1-2-6-10(9)20-11-7-3-4-8-12(11)21(17,18)19/h1-8H,(H2,17,18,19)
InChIKeySRDHDIDOBDYBTB-UHFFFAOYSA-N
XLogP3.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 67145953) is 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide is NS(=O)(=O)c1ccccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is SRDHDIDOBDYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c14-13(15,16)9-5-1-2-6-10(9)20-11-7-3-4-8-12(11)21(17,18)19/h1-8H,(H2,17,18,19).
What are the key properties of 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide?
2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 67145953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).