N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide

C9H10FN3O2S — CID 103300602

IUPACN-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H10FN3O2S/c1-9(2,6-11)13-16(14,15)8-7(10)4-3-5-12-8/h3-5,13H,1-2H3
InChIKeySJYHSGHIVBNELY-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.80
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide

N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103300602) has the molecular formula C9H10FN3O2S and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103300602
Molecular FormulaC9H10FN3O2S
Molecular Weight243.26 g/mol
Exact Mass243.05
IUPAC NameN-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H10FN3O2S/c1-9(2,6-11)13-16(14,15)8-7(10)4-3-5-12-8/h3-5,13H,1-2H3
InChIKeySJYHSGHIVBNELY-UHFFFAOYSA-N
XLogP0.80
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308364
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
CID 103300448
N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61127713
N-(2-amino-4,4-dimethylpentyl)-3-fluoropyridine-2-sulfonamide
CID 107158974
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide (CID 103300602) is N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide is CC(C)(C#N)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is SJYHSGHIVBNELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2S/c1-9(2,6-11)13-16(14,15)8-7(10)4-3-5-12-8/h3-5,13H,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide?
N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 243.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).