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

C12H19FN2O3S — CID 63322489

IUPAC3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O3S/c1-8(2)3-11(7-16)15-19(17,18)12-5-9(13)4-10(14)6-12/h4-6,8,11,15-16H,3,7,14H2,1-2H3
InChIKeyDVCCMVUQVKIBJE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.09
Rot. Bonds6

About 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 63322489) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID63322489
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H19FN2O3S/c1-8(2)3-11(7-16)15-19(17,18)12-5-9(13)4-10(14)6-12/h4-6,8,11,15-16H,3,7,14H2,1-2H3
InChIKeyDVCCMVUQVKIBJE-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 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 63322489) is 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is DVCCMVUQVKIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-8(2)3-11(7-16)15-19(17,18)12-5-9(13)4-10(14)6-12/h4-6,8,11,15-16H,3,7,14H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
3-amino-5-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 3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63322489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).