2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide

C12H19FN2O2S — CID 64568404

IUPAC2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-8(2)9(3)7-15-18(16,17)12-5-4-10(13)6-11(12)14/h4-6,8-9,15H,7,14H2,1-3H3
InChIKeyGKDNGLRJYLKZHK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide

2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide (PubChem CID 64568404) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
PubChem CID64568404
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O2S/c1-8(2)9(3)7-15-18(16,17)12-5-4-10(13)6-11(12)14/h4-6,8-9,15H,7,14H2,1-3H3
InChIKeyGKDNGLRJYLKZHK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
2-amino-4-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 106153098
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 113483973

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide (CID 64568404) is 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide is CC(C)C(C)CNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide?
The InChIKey is GKDNGLRJYLKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-8(2)9(3)7-15-18(16,17)12-5-4-10(13)6-11(12)14/h4-6,8-9,15H,7,14H2,1-3H3.
What are the key properties of 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide?
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 64568404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).