2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide

C10H12F3NO2S — CID 47358735

IUPAC2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H12F3NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyYESUAYRKXQNJAM-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.04
Rot. Bonds4

About 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide

2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 47358735) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID47358735
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H12F3NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyYESUAYRKXQNJAM-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
N-(4-bromo-2-methylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 113271251
N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
CID 66175412
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466867
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
N-(4-bromopentyl)-2,4,6-trifluorobenzenesulfonamide
CID 114148263
2-bromo-N-[2-(dimethylamino)-3-methylbutyl]-4,6-difluorobenzenesulfonamide
CID 60716587
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 106141646

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide (CID 47358735) is 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YESUAYRKXQNJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide?
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 47358735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).