3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide

C14H16FN3O2S — CID 103299752

IUPAC3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
SMILESCC(C)N(Cc1ccccn1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H16FN3O2S/c1-11(2)18(10-12-6-3-4-8-16-12)21(19,20)14-13(15)7-5-9-17-14/h3-9,11H,10H2,1-2H3
InChIKeyHIOKFRLUUDXHRX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.21
Rot. Bonds5

About 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide

3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide (PubChem CID 103299752) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
PubChem CID103299752
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
SMILESCC(C)N(Cc1ccccn1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H16FN3O2S/c1-11(2)18(10-12-6-3-4-8-16-12)21(19,20)14-13(15)7-5-9-17-14/h3-9,11H,10H2,1-2H3
InChIKeyHIOKFRLUUDXHRX-UHFFFAOYSA-N
XLogP2.21
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268230
2-[(3-fluoro-2-pyridinyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 103308750
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60959944
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-sulfonamide
CID 103300378
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide (CID 103299752) is 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide is CC(C)N(Cc1ccccn1)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is HIOKFRLUUDXHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-11(2)18(10-12-6-3-4-8-16-12)21(19,20)14-13(15)7-5-9-17-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide?
3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103299752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).