ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide

C16H28F3NO2S — CID 144567527

IUPACethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide
SMILESCC.CC.Cc1ccc(S(=O)NC(C)(C)CO)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2S.2C2H6/c1-8-4-5-10(9(6-8)12(13,14)15)19(18)16-11(2,3)7-17;2*1-2/h4-6,16-17H,7H2,1-3H3;2*1-2H3
InChIKeyONIWAUDOAJVASL-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.45
Rot. Bonds4

About ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide

ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide (PubChem CID 144567527) has the molecular formula C16H28F3NO2S and a molecular weight of 355.47 g/mol. Its IUPAC name is ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide.

Molecular Properties

Compound Nameethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide
PubChem CID144567527
Molecular FormulaC16H28F3NO2S
Molecular Weight355.47 g/mol
Exact Mass355.18
IUPAC Nameethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide
SMILESCC.CC.Cc1ccc(S(=O)NC(C)(C)CO)c(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2S.2C2H6/c1-8-4-5-10(9(6-8)12(13,14)15)19(18)16-11(2,3)7-17;2*1-2/h4-6,16-17H,7H2,1-3H3;2*1-2H3
InChIKeyONIWAUDOAJVASL-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide?
The IUPAC name of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide (CID 144567527) is ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide.
What is the SMILES notation for ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide?
The canonical SMILES for ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide is CC.CC.Cc1ccc(S(=O)NC(C)(C)CO)c(C(F)(F)F)c1.
What is the InChIKey of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide?
The InChIKey is ONIWAUDOAJVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S.2C2H6/c1-8-4-5-10(9(6-8)12(13,14)15)19(18)16-11(2,3)7-17;2*1-2/h4-6,16-17H,7H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide?
ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide has a molecular weight of 355.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide is sourced from PubChem (CID 144567527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).