2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

C11H14F3NO3S — CID 79387138

IUPAC2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H14F3NO3S/c1-11(2,16)6-15(3)19(17,18)10-8(13)4-7(12)5-9(10)14/h4-5,16H,6H2,1-3H3
InChIKeyUVQXIMBBCJXEBO-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.50
Rot. Bonds4

About 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (PubChem CID 79387138) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
PubChem CID79387138
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H14F3NO3S/c1-11(2,16)6-15(3)19(17,18)10-8(13)4-7(12)5-9(10)14/h4-5,16H,6H2,1-3H3
InChIKeyUVQXIMBBCJXEBO-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

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Related Compounds

(3R*,4R*)-1-[(2,4-difluorophenyl)sulfonyl]-3,4-dimethyl-3-pyrrolidinol
CID 72865735
1-(3,4-Difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464
N,N-diethyl-3,5-difluorobenzene sulfonamide
CID 60700204
N,N-dipropyl-3,5-difluorobenzenesulfonamide
CID 60355030
N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 78787057
N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide
CID 97258189
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 22711713
2,4-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 57663163
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-methylbenzenesulfonamide
CID 59983880
4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62332561
2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65107233
2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65112794

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (CID 79387138) is 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is UVQXIMBBCJXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-11(2,16)6-15(3)19(17,18)10-8(13)4-7(12)5-9(10)14/h4-5,16H,6H2,1-3H3.
What are the key properties of 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-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 2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79387138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).