4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide

C12H11F2NO3S — CID 54939379

IUPAC4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12
InChIInChI=1S/C12H11F2NO3S/c13-12(14)7-18-10-5-6-11(19(15,16)17)9-4-2-1-3-8(9)10/h1-6,12H,7H2,(H2,15,16,17)
InChIKeyFABIPIDDQIBYHK-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.13
Rot. Bonds4

About 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide

4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide (PubChem CID 54939379) has the molecular formula C12H11F2NO3S and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide
PubChem CID54939379
Molecular FormulaC12H11F2NO3S
Molecular Weight287.29 g/mol
Exact Mass287.04
IUPAC Name4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12
InChIInChI=1S/C12H11F2NO3S/c13-12(14)7-18-10-5-6-11(19(15,16)17)9-4-2-1-3-8(9)10/h1-6,12H,7H2,(H2,15,16,17)
InChIKeyFABIPIDDQIBYHK-UHFFFAOYSA-N
XLogP2.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide (CID 54939379) is 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide is NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc12.
What is the InChIKey of 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide?
The InChIKey is FABIPIDDQIBYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S/c13-12(14)7-18-10-5-6-11(19(15,16)17)9-4-2-1-3-8(9)10/h1-6,12H,7H2,(H2,15,16,17).
What are the key properties of 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide?
4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide has a molecular weight of 287.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)naphthalene-1-sulfonamide is sourced from PubChem (CID 54939379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).