N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide

C12H20FN3O2S — CID 107158974

IUPACN-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H20FN3O2S/c1-12(2,3)7-9(14)8-16-19(17,18)11-10(13)5-4-6-15-11/h4-6,9,16H,7-8,14H2,1-3H3
InChIKeyMULKADASAPBMRK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds5

About N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide

N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 107158974) has the molecular formula C12H20FN3O2S and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
PubChem CID107158974
Molecular FormulaC12H20FN3O2S
Molecular Weight289.38 g/mol
Exact Mass289.13
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C12H20FN3O2S/c1-12(2,3)7-9(14)8-16-19(17,18)11-10(13)5-4-6-15-11/h4-6,9,16H,7-8,14H2,1-3H3
InChIKeyMULKADASAPBMRK-UHFFFAOYSA-N
XLogP1.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
2-[[(3-fluoro-2-pyridinyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 103298831
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-(2-amino-4,4-dimethylpentyl)-1H-pyrazole-5-sulfonamide
CID 107158984
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308364
N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide
CID 103298978
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide (CID 107158974) is N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide is CC(C)(C)CC(N)CNS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is MULKADASAPBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O2S/c1-12(2,3)7-9(14)8-16-19(17,18)11-10(13)5-4-6-15-11/h4-6,9,16H,7-8,14H2,1-3H3.
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide?
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 107158974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).