N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide

C12H19FN2O2S — CID 114208127

IUPACN-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide
SMILESCC(C)(C)C(CN)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-12(2,3)11(8-14)15-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,15H,8,14H2,1-3H3
InChIKeyVJMWHRYGIZJYOK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.48
Rot. Bonds4

About N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide

N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 114208127) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide
PubChem CID114208127
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide
SMILESCC(C)(C)C(CN)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O2S/c1-12(2,3)11(8-14)15-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,15H,8,14H2,1-3H3
InChIKeyVJMWHRYGIZJYOK-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide (CID 114208127) is N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide is CC(C)(C)C(CN)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is VJMWHRYGIZJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-12(2,3)11(8-14)15-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,15H,8,14H2,1-3H3.
What are the key properties of N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide?
N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethylbutan-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 114208127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).