5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H19FN2O3S — CID 61242223

IUPAC5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H19FN2O3S/c1-8(2)5-10(7-16)15-19(17,18)12-6-9(14)3-4-11(12)13/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyBLEUHJDGZRWEML-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.09
Rot. Bonds6

About 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61242223) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID61242223
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H19FN2O3S/c1-8(2)5-10(7-16)15-19(17,18)12-6-9(14)3-4-11(12)13/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyBLEUHJDGZRWEML-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 61242223) is 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is BLEUHJDGZRWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-8(2)5-10(7-16)15-19(17,18)12-6-9(14)3-4-11(12)13/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61242223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).