2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

C11H14F3NO3S — CID 115902680

IUPAC2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO3S/c1-11(2,6-16)15(3)19(17,18)8-5-4-7(12)9(13)10(8)14/h4-5,16H,6H2,1-3H3
InChIKeySYDQMCVSSHBOBW-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.50
Rot. Bonds4

About 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 115902680) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID115902680
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO3S/c1-11(2,6-16)15(3)19(17,18)8-5-4-7(12)9(13)10(8)14/h4-5,16H,6H2,1-3H3
InChIKeySYDQMCVSSHBOBW-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (CID 115902680) is 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is SYDQMCVSSHBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-11(2,6-16)15(3)19(17,18)8-5-4-7(12)9(13)10(8)14/h4-5,16H,6H2,1-3H3.
What are the key properties of 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115902680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).