N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C12H14F3NO3S — CID 82715932

IUPACN-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)8-19-16-20(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,16H,1-4,8H2
InChIKeyXQLJFXLAUGQUJO-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.34
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 82715932) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID82715932
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NOCC(F)(F)F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14F3NO3S/c13-12(14,15)8-19-16-20(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,16H,1-4,8H2
InChIKeyXQLJFXLAUGQUJO-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide
CID 82715252
3-bromo-4-chloro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 106605708
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
N-[6-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154765958
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90576066
(E)-3-[4-(2,2,2-trifluoroethoxysulfamoyl)phenyl]prop-2-enoic acid
CID 82712506
N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113091816

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 82715932) is N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NOCC(F)(F)F)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is XQLJFXLAUGQUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c13-12(14,15)8-19-16-20(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h5-7,16H,1-4,8H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 82715932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).