N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide

C11H14F3NO3S — CID 82724634

IUPACN-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO3S/c1-10(2,3)18-15-19(16,17)9-6-4-5-8(7-9)11(12,13)14/h4-7,15H,1-3H3
InChIKeyXSWPAVUOFFVESA-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.71
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide

N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 82724634) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID82724634
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO3S/c1-10(2,3)18-15-19(16,17)9-6-4-5-8(7-9)11(12,13)14/h4-7,15H,1-3H3
InChIKeyXSWPAVUOFFVESA-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.71
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

3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
N-(1-amino-2-methylpropan-2-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119975376
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
N-[(2-methylpropan-2-yl)oxy]-3-propanoylbenzenesulfonamide
CID 107857568
N-(2-bromo-3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 114296184
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide (CID 82724634) is N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide is CC(C)(C)ONS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XSWPAVUOFFVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-10(2,3)18-15-19(16,17)9-6-4-5-8(7-9)11(12,13)14/h4-7,15H,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide?
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 82724634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).