2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide

C13H14FN3O2S — CID 121018792

IUPAC2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCn2nccc2C1)c1ccccc1F
InChIInChI=1S/C13H14FN3O2S/c14-12-3-1-2-4-13(12)20(18,19)16-10-6-8-17-11(9-10)5-7-15-17/h1-5,7,10,16H,6,8-9H2
InChIKeyKMVXBSUJDCIIPS-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.32
Rot. Bonds3

About 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide

2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide (PubChem CID 121018792) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide
PubChem CID121018792
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCn2nccc2C1)c1ccccc1F
InChIInChI=1S/C13H14FN3O2S/c14-12-3-1-2-4-13(12)20(18,19)16-10-6-8-17-11(9-10)5-7-15-17/h1-5,7,10,16H,6,8-9H2
InChIKeyKMVXBSUJDCIIPS-UHFFFAOYSA-N
XLogP1.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 60639849
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018471
N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
CID 65033519
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
2-bromo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101471
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
2-[methyl(methylsulfonyl)amino]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 119101484
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
2-fluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564547

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide (CID 121018792) is 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide is O=S(=O)(NC1CCn2nccc2C1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide?
The InChIKey is KMVXBSUJDCIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-12-3-1-2-4-13(12)20(18,19)16-10-6-8-17-11(9-10)5-7-15-17/h1-5,7,10,16H,6,8-9H2.
What are the key properties of 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide?
2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 121018792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).