5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide

C17H12F3NO3S — CID 155213833

IUPAC5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C17H12F3NO3S/c18-17(19,20)12-4-6-13(7-5-12)24-16-3-1-2-11-10-14(25(21,22)23)8-9-15(11)16/h1-10H,(H2,21,22,23)
InChIKeyYBINZJKCHLYUCO-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.30
Rot. Bonds3

About 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide

5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide (PubChem CID 155213833) has the molecular formula C17H12F3NO3S and a molecular weight of 367.35 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
PubChem CID155213833
Molecular FormulaC17H12F3NO3S
Molecular Weight367.35 g/mol
Exact Mass367.05
IUPAC Name5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C17H12F3NO3S/c18-17(19,20)12-4-6-13(7-5-12)24-16-3-1-2-11-10-14(25(21,22)23)8-9-15(11)16/h1-10H,(H2,21,22,23)
InChIKeyYBINZJKCHLYUCO-UHFFFAOYSA-N
XLogP4.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
The IUPAC name of 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide (CID 155213833) is 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
The canonical SMILES for 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide is NS(=O)(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
The InChIKey is YBINZJKCHLYUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3S/c18-17(19,20)12-4-6-13(7-5-12)24-16-3-1-2-11-10-14(25(21,22)23)8-9-15(11)16/h1-10H,(H2,21,22,23).
What are the key properties of 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide?
5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide has a molecular weight of 367.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenoxy]naphthalene-2-sulfonamide is sourced from PubChem (CID 155213833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).