2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide

C12H19FN2O3S — CID 65103391

IUPAC2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C12H19FN2O3S/c1-3-12(16,4-2)8-15-19(17,18)10-7-5-6-9(13)11(10)14/h5-7,15-16H,3-4,8,14H2,1-2H3
InChIKeySYCKHCVCCOIGAD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds6

About 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide

2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide (PubChem CID 65103391) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
PubChem CID65103391
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C12H19FN2O3S/c1-3-12(16,4-2)8-15-19(17,18)10-7-5-6-9(13)11(10)14/h5-7,15-16H,3-4,8,14H2,1-2H3
InChIKeySYCKHCVCCOIGAD-UHFFFAOYSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107150701
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
5-amino-N-(2-ethyl-2-hydroxybutyl)-1H-pyrazole-4-sulfonamide
CID 65102925
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
5-amino-N-(2-ethyl-2-hydroxybutyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645577
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113010
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113489
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
2-amino-N-(2-hydroxy-2-methylbutyl)pyridine-3-sulfonamide
CID 65426096
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide (CID 65103391) is 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide is CCC(O)(CC)CNS(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide?
The InChIKey is SYCKHCVCCOIGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-3-12(16,4-2)8-15-19(17,18)10-7-5-6-9(13)11(10)14/h5-7,15-16H,3-4,8,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide?
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 65103391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).