2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide

C12H19FN2O2S — CID 103460021

IUPAC2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-4-12(2,3)8-15-18(16,17)11-6-5-9(13)7-10(11)14/h5-7,15H,4,8,14H2,1-3H3
InChIKeyQLOCVHOXYVSTQC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide

2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide (PubChem CID 103460021) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
PubChem CID103460021
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-4-12(2,3)8-15-18(16,17)11-6-5-9(13)7-10(11)14/h5-7,15H,4,8,14H2,1-3H3
InChIKeyQLOCVHOXYVSTQC-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
5-amino-3-bromo-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103460051
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide (CID 103460021) is 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide?
The InChIKey is QLOCVHOXYVSTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-4-12(2,3)8-15-18(16,17)11-6-5-9(13)7-10(11)14/h5-7,15H,4,8,14H2,1-3H3.
What are the key properties of 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide?
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 103460021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).