N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide

C12H17F3N2O2S — CID 106141646

IUPACN-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
SMILESCC(C)(CCN)CNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H17F3N2O2S/c1-12(2,3-4-16)7-17-20(18,19)11-9(14)5-8(13)6-10(11)15/h5-6,17H,3-4,7,16H2,1-2H3
InChIKeyZUIHTWIHTDMJNL-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.76
Rot. Bonds6

About N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide

N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 106141646) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID106141646
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
SMILESCC(C)(CCN)CNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H17F3N2O2S/c1-12(2,3-4-16)7-17-20(18,19)11-9(14)5-8(13)6-10(11)15/h5-6,17H,3-4,7,16H2,1-2H3
InChIKeyZUIHTWIHTDMJNL-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106143817
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
3-amino-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2,6-dimethylbenzenesulfonamide
CID 106139845
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluorobenzenesulfonamide
CID 106146325
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
2,4,6-trifluorobenzenesulfonohydrazide
CID 60971581

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide (CID 106141646) is N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide is CC(C)(CCN)CNS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is ZUIHTWIHTDMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-12(2,3-4-16)7-17-20(18,19)11-9(14)5-8(13)6-10(11)15/h5-6,17H,3-4,7,16H2,1-2H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide?
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 106141646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).