N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide

C12H20FN3O2S — CID 115309880

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H20FN3O2S/c1-9(2)5-12(3,8-14)16-19(17,18)11-4-10(13)6-15-7-11/h4,6-7,9,16H,5,8,14H2,1-3H3
InChIKeyNJDKQAIGJPKRNQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide (PubChem CID 115309880) has the molecular formula C12H20FN3O2S and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
PubChem CID115309880
Molecular FormulaC12H20FN3O2S
Molecular Weight289.38 g/mol
Exact Mass289.13
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H20FN3O2S/c1-9(2)5-12(3,8-14)16-19(17,18)11-4-10(13)6-15-7-11/h4,6-7,9,16H,5,8,14H2,1-3H3
InChIKeyNJDKQAIGJPKRNQ-UHFFFAOYSA-N
XLogP1.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide (CID 115309880) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is NJDKQAIGJPKRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2S/c1-9(2)5-12(3,8-14)16-19(17,18)11-4-10(13)6-15-7-11/h4,6-7,9,16H,5,8,14H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 115309880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).