4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide

C13H12F3NO3S — CID 64566322

IUPAC4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCCC(F)(F)F)c2ccccc12
InChIInChI=1S/C13H12F3NO3S/c14-13(15,16)7-8-20-11-5-6-12(21(17,18)19)10-4-2-1-3-9(10)11/h1-6H,7-8H2,(H2,17,18,19)
InChIKeyYEIHGKPSNQWOFE-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.82
Rot. Bonds4

About 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide

4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide (PubChem CID 64566322) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
PubChem CID64566322
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC Name4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCCC(F)(F)F)c2ccccc12
InChIInChI=1S/C13H12F3NO3S/c14-13(15,16)7-8-20-11-5-6-12(21(17,18)19)10-4-2-1-3-9(10)11/h1-6H,7-8H2,(H2,17,18,19)
InChIKeyYEIHGKPSNQWOFE-UHFFFAOYSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide?
The IUPAC name of 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide (CID 64566322) is 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide?
The canonical SMILES for 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide is NS(=O)(=O)c1ccc(OCCC(F)(F)F)c2ccccc12.
What is the InChIKey of 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide?
The InChIKey is YEIHGKPSNQWOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c14-13(15,16)7-8-20-11-5-6-12(21(17,18)19)10-4-2-1-3-9(10)11/h1-6H,7-8H2,(H2,17,18,19).
What are the key properties of 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide?
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide has a molecular weight of 319.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide is sourced from PubChem (CID 64566322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).